Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6049809

Cl.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 known ✓ P03956 12/20 0.83
MMP8 known ✓ P22894 11/20 0.83
MMP13 known ✓ P45452 16/20 0.78
MMP7 known ✓ P09237 2/20 0.59
MMP9 P14780 17/20 0.83
MMP14 P50281 13/20 0.83
MMP3 P08254 11/20 0.83
MMP2 P08253 10/20 0.83
ADAM17 P78536 6/20 0.59
ADAMTS4 O75173 1/20 0.59
ADAMTS5 Q9UNA0 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6049927 1.00 MMP9 (0.83) MMP9MMP14MMP1MMP3MMP8
Hydrochloric Acid SCHEMBL31321066 1.00 MMP9 (0.83) MMP9MMP14MMP1MMP3MMP8
Hydrochloric Acid SCHEMBL31321072 1.00 MMP9 (0.83) MMP9MMP14MMP1MMP3MMP8
SCHEMBL5919016 0.99 MMP9 (0.84) MMP9MMP14MMP1MMP3MMP8
Hydrochloric Acid SCHEMBL7158912 0.86 MMP9 (0.73) MMP9MMP14MMP1MMP3MMP8
Hydrochloric Acid SCHEMBL6049819 0.86 MMP9 (0.73) MMP9MMP14MMP1MMP3MMP8
SCHEMBL5919203 0.85 MMP9 (0.75) MMP9MMP14MMP1MMP3MMP8
Hydrochloric Acid SCHEMBL31321076 0.84 MMP9 (0.83) MMP9MMP14MMP1MMP3MMP8
Hydrochloric Acid SCHEMBL6687654 0.84 MMP9 (0.68) MMP9MMP14MMP1MMP3MMP8
Hydrochloric Acid SCHEMBL6049816 0.84 MMP9 (0.83) MMP9MMP14MMP1MMP3MMP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082557-A1 Methods for treating estrogen-dependent disorders PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US claimed
US-20040024044-A1 Exemestane as chemopreventing agent PHARMACIA ITALIA S.P.A. (IT) 2004-02-05 US claimed
EP-1140178-A2 USE OF A MATRIX METALLAPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140182-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENT, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140183-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038717-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038718-A2 USE OF MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENTS, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO claimed
EP-1377298-B1 EXEMESTANE FOR TREATING HORMONO-DEPENDENT DISORDERS PFIZER ITALIA SRL (IT) 2006-08-30 EP disclosed
US-6916800-B2 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent PFIZER INC (US) 2005-07-12 US disclosed
US-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-03-17 US disclosed
US-6858598-B1 Method of using a matrix metalloproteinase inhibitor and one or more antineoplastic agents as a combination therapy in the treatment of neoplasia G. D. SEARLE & CO. (US) 2005-02-22 US disclosed
WO-2004096206-A2 THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND A TACE INHIBITOR PHARMACIA CORPORATION (US) 2004-11-11 WO disclosed
EP-1140178-A2 USE OF A MATRIX METALLAPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038717-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038718-A2 USE OF MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENTS, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MMP3, MMP10, MMP25 MMP1 6/4885MMP8 9/4885MMP13 10/4885
US-20040082557-A1 Methods for treating estrogen-dependent disorders CYP19A1, BRCA1, ESR2 MMP1 79/4885MMP8 111/4885MMP13 174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.