Hydrochloric Acid

Hydrochloric Acid

SCHEMBL307828

Cl.N=C(N)Nc1ccc(CNC(=O)C(CCc2ccccc2)NC(=O)C(CO)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.48

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 18)

geneUniProtsupporting neighboursconfidence
KLKB1 known ✓ P03952 2/20 0.47
MMP1 known ✓ P03956 1/20 0.39
F2 P00734 12/20 0.48
F10 P00742 10/20 0.48
PLG P00747 4/20 0.47
PROC P04070 1/20 0.47
TMPRSS11D O60235 4/20 0.44
PLAU P00749 1/20 0.43
HPN P05981 1/20 0.43
PSMB5 P28074 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
F7 P08709 1/20 0.41
MASP2 O00187 1/20 0.41
F11 P03951 1/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
FCER2 P06734 1/20 0.39

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
SCHEMBL5495060 0.99 F2 (0.48) F2F10PLGKLKB1PROC
SCHEMBL14628111 0.99 F2 (0.48) F2F10PLGKLKB1PROC
SCHEMBL20117496 0.88 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL16843096 0.88 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL17366096 0.88 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL17366095 0.88 F2 (0.57) F2F10PLGKLKB1PROC
Hydrochloric Acid SCHEMBL6923723 0.87 F2 (0.41) F2F10PLGKLKB1PROC
SCHEMBL12514665 0.86 F2 (0.46) F2F10PLGTMPRSS11DPLAU
Acetic Acid SCHEMBL30541187 0.86 F2 (0.55) F2F10PLGKLKB1PROC
Hydrochloric Acid SCHEMBL6544352 0.85 F10 (0.49) F2F10PLGTMPRSS11DF7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226624-A1 Combined treatment of cancer by urokinase inhibition and a cytostatic anti-cancer agent for enhancing the anti-metastatic effect WILEX AG (DE) 2008-09-18 US claimed
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP claimed
US-20040266766-A1 Selective urokinase inhibitors WILEX AG (DE) 2004-12-30 US claimed
US-20120165287-A1 COMBINED TREATMENT OF CANCER BY UROKINASE INHIBITION AND A CYTOSTATIC ANTI-CANCER AGENT FOR ENHANCING THE ANTI-METASTATIC EFFECT WILEX AG (DE) 2012-06-28 US disclosed
US-8093258-B2 Use of urokinase inhibitors for the treatment and/or prevention of neuropathological diseases WILEX AG (DE) 2012-01-10 US disclosed
EP-1893185-B1 USE OF UROKINASE INHIBITORS FOR THE TREATMENT AND/OR PREVENTION OF AMYOTROPhIC LATERAL SCLEROSIS (ALS) WILEX AG (DE) 2009-09-16 EP disclosed
EP-2087885-A1 Use of urokinase inhibitors for the treatment and /or prevention of neuropathological diseases Wilex AG (DE) 2009-08-12 EP disclosed
US-20090069251-A1 Use Of Urokinase Inhibitors for the Treatment and/or Prevention of Neuropathological Diseases WILEX AG (DE) 2009-03-12 US disclosed
US-20080226624-A1 Combined treatment of cancer by urokinase inhibition and a cytostatic anti-cancer agent for enhancing the anti-metastatic effect WILEX AG (DE) 2008-09-18 US disclosed
EP-1893185-A2 USE OF UROKINASE INHIBITORS FOR THE TREATMENT AND/OR PREVENTION OF NEUROPATHOLOGICAL DISEASES Wilex AG (DE) 2008-03-05 EP disclosed
WO-2006136419-A2 USE OF UROKINASE INHIBITORS FOR THE TREATMENT AND/OR PREVENTION OF NEUROPATHOLOGICAL DISEASES WILEX AG (DE) 2006-12-28 WO disclosed
US-20040266766-A1 Selective urokinase inhibitors WILEX AG (DE) 2004-12-30 US 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 (4 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-20040266766-A1 Selective urokinase inhibitors PLAU, PLAUR, SERPINE1 KLKB1 60/4885MMP1 87/4885F2 151/4885
US-20080226624-A1 Combined treatment of cancer by urokinase inhibition and a cytostatic anti-cancer agent for enhancing the anti-metastatic effect PLAU, PLAUR, SERPINE1 KLKB1 73/4885MMP1 230/4885F2 822/4885
US-20120165287-A1 COMBINED TREATMENT OF CANCER BY UROKINASE INHIBITION AND A CYTOSTATIC ANTI-CANCER AGENT FOR ENHANCING THE ANTI-METASTATIC EFFECT PLAU, PLAUR, SERPINE1 KLKB1 73/4885MMP1 230/4885F2 822/4885
US-20090069251-A1 Use Of Urokinase Inhibitors for the Treatment and/or Prevention of Neuropathological Diseases PLAU, SERPINE1, PLAUR KLKB1 224/4885MMP1 62/4885F2 710/4885

“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.