Hydrochloric Acid

Hydrochloric Acid

SCHEMBL250043

CC(C)c1cc(C(C)C)c(S(=O)(=O)C(C)(OC(=O)N2CCNCC2)c2ccc(C[C@H](N)C(=O)O)cc2C(=N)N)c(C(C)C)c1.Cl

nearest known ligand 0.51

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 10)

geneUniProtsupporting neighboursconfidence
KLKB1 known ✓ P03952 1/20 0.44
PLAU P00749 19/20 0.51
PLG P00747 17/20 0.51
ST14 Q9Y5Y6 7/20 0.51
F2 P00734 6/20 0.51
F10 P00742 6/20 0.51
PLAT P00750 3/20 0.46
HPN P05981 3/20 0.44
TPSG1 Q9NRR2 1/20 0.44
HGFAC Q04756 2/20 0.44

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
SCHEMBL2954061 0.99 PLAU (0.52) PLAUPLGST14F2F10
Hydrochloric Acid SCHEMBL4451933 0.89 PLAU (0.48) PLAUPLGST14F2F10
SCHEMBL2953288 0.88 PLAU (0.48) PLAUPLGST14F2F10
SCHEMBL4619934 0.87 PLAU (0.44) PLAUPLGST14F2F10
SCHEMBL7058121 0.84 PLG (0.43) PLAUPLGST14F2F10
SCHEMBL6129266 0.75 PLAU (0.61) PLAUPLGST14F2F10
SCHEMBL5309785 0.73 PLAU (0.37) PLAUPLGST14F2F10
N-(Ethoxycarbonyl)Piperazine SCHEMBL4606324 0.71 PLAU (0.80) PLAUPLGST14F2F10
N-(Ethoxycarbonyl)Piperazine SCHEMBL3660147 0.70 PLAU (0.58) PLAUPLGST14F2F10
Hydrochloric Acid SCHEMBL4458403 0.70 PLG (0.47) PLAUPLGST14F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46424-E1 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2017-06-06 US disclosed
US-8642761-B2 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2014-02-04 US disclosed
US-20120065398-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES WILEX AG (DE) 2012-03-15 US disclosed
US-8088921-B2 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2012-01-03 US disclosed
US-7884206-B2 N-alpha-2,4,6-triisopropylphenylsulfonyl-3-cyano-(L)-phenylalanine-4-ethoxycarbonyl piperazide dissolved in ethanol, mixed with hydroxylamine hydrochloride to produce N- alpha -2,4,6-Triisopropylphenylsulfonyl-3-amidino-(L)-phenylalanine-4-ethoxycarbonyl piperazide hydrochloride, reduction with H2, Pd/C WILEX AG (DE) 2011-02-08 US disclosed
US-7745441-B1 triisopropylphenylsulfonyl N alpha -substituted 3-amidinophenylalanine derivatives, having increased inhibitory activity against urokinases, used as antitumor or antimetastatic agents WILEX AG (DE) 2010-06-29 US disclosed
US-7342018-B2 Urokinase inhibitors and uses thereof WILEX AG (DE) 2008-03-11 US disclosed
US-20070123706-A1 Method for producing 3-amidinophenylalanine derivatives WILEX AG 2007-05-31 US disclosed
EP-1480963-B1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES WILEX AG (DE) 2007-05-02 EP disclosed
US-7211670-B2 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2007-05-01 US disclosed
US-20040138233-A1 Novel urokinase inhibitors WILEX AG (DE) 2004-07-15 US disclosed
EP-1264828-B1 Inhibitor of urokinase WILEX AG (DE) 2004-04-14 EP disclosed
US-6680320-B2 ANTITUMOR AGENTS WILEX AG (DE) 2004-01-20 US disclosed
US-6624169-B1 3-amidinophenylalanine as urokinase inhibitors for treating malignant tumors and the formation of metastases targeting lymphocytes and for treating disorders of the lymphatic tissue, in particular lymphomas. WILEX BIOTECHNOLOGY GMBH (DE) 2003-09-23 US disclosed
US-20030013723-A1 Antitumor agents WILEX AG 2003-01-16 US disclosed
EP-1098651-B1 NOVEL UROKINASE INHIBITORS WILEX AG (DE) 2003-01-08 EP disclosed
EP-1264828-A1 New inhibitor of urokinase Wilex AG (DE) 2002-12-11 EP disclosed
EP-1114024-B1 UROKINASE INHIBITORS PENTAPHARM AG (CH) 2002-11-27 EP disclosed
EP-1098651-A2 NOVEL UROKINASE INHIBITORS Wilex Biotechnology GmbH (DE) 2001-05-16 EP disclosed
WO-2000004954-A2 NOVEL UROKINASE INHIBITORS WILEX BIOTECHNOLOGY GMBH (DE) 2000-02-03 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 (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-20040138233-A1 Novel urokinase inhibitors PLAU, PLAUR, DNPEP KLKB1 141/4885PLAU 1/4885PLG 22/4885
US-20070123706-A1 Method for producing 3-amidinophenylalanine derivatives APEH, PAH, DAO KLKB1 1601/4885PLAU 53/4885PLG 101/4885
US-20030013723-A1 Antitumor agents DNPEP, PLAU, ENPEP KLKB1 539/4885PLAU 2/4885PLG 50/4885
US-20120065398-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES PAH, APEH, DAO KLKB1 1530/4885PLAU 63/4885PLG 109/4885

“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.