Hydrochloric Acid

Hydrochloric Acid

SCHEMBL307960

Cl.N=C(N)Nc1ccc(C(=O)NC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)Cc2cccc(Cl)c2)cc1

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
HDAC1 known ✓ Q13547 1/20 0.36
F7 P08709 2/20 0.45
F10 P00742 10/20 0.45
F2 P00734 8/20 0.45
PRSS1 P07477 4/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PLG P00747 4/20 0.36
TMPRSS11D O60235 1/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
NAMPT P43490 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5494187 0.99 F7 (0.46) F7F10F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL308853 0.90 F10 (0.37) F7F10F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL6544447 0.90 F10 (0.42) F7F10F2PRSS1PRSS2
SCHEMBL4359370 0.89 F2 (0.38) F7F10F2PRSS1PRSS2
SCHEMBL308627 0.89 F2 (0.38) F7F10F2PRSS1PRSS2
SCHEMBL5499067 0.89 F10 (0.42) F7F10F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL308182 0.87 KMT2A (0.39) F10HDAC1MAPT
SCHEMBL5500303 0.86 KMT2A (0.40) F10HDAC1MAPT
Hydrochloric Acid SCHEMBL6543529 0.81 F7 (0.46) F7F10F2HDAC1NAMPT
Hydrochloric Acid SCHEMBL6853389 0.81 TMPRSS11D (0.50) F10F2PRSS1PLGTMPRSS11D

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 HDAC1 2231/4885F7 747/4885F10 128/4885
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 HDAC1 1338/4885F7 1407/4885F10 558/4885
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 HDAC1 1338/4885F7 1407/4885F10 558/4885
US-20090069251-A1 Use Of Urokinase Inhibitors for the Treatment and/or Prevention of Neuropathological Diseases PLAU, SERPINE1, PLAUR HDAC1 1374/4885F7 777/4885F10 436/4885

“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.