SCHEMBL1624940

SCHEMBL1624940

Cc1ccc(COC(=N)C(Cl)(Cl)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.44
MMP2 P08253 2/20 0.41
MMP12 P39900 2/20 0.41
IDO1 P14902 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
P2RX4 Q99571 1/20 0.37
MAOB P27338 1/20 0.37
NAAA Q02083 1/20 0.36
PARP10 Q53GL7 1/20 0.36
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL16276338 0.91 MAOB (0.51) ALDH1A1RAB9ANPC1MAOBPARP10
SCHEMBL13180669 0.85 MEN1 (0.46) IDO1ALDH1A1CA2
SCHEMBL12387355 0.83 PRSS1 (0.39) ALDH1A1CA1CA2CA9RAB9A
SCHEMBL329086 0.82 IDO1 (0.47) AGXTMMP2MMP12IDO1MMP1
SCHEMBL2221024 0.81 IDO1 (0.44) IDO1MMP1ALDH1A1MAOBMAPT
SCHEMBL4963068 0.81 IDO1 (0.44) AGXTMMP2MMP12IDO1MMP1
SCHEMBL52407 0.81 ALDH1A1 (0.52) AGXTMMP2MMP12IDO1MMP9
SCHEMBL6506640 0.81 ESR1 (0.48) MMP2MMP12ALDH1A1
SCHEMBL1968907 0.79 IDO1 (0.47) AGXTIDO1ALDH1A1GAACA1
Alcohol SCHEMBL5922921 0.78 IDO1 (0.43) AGXTMMP2MMP12IDO1MMP1

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-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
WO-2005100329-A1 NOVEL PROTECTING REAGENTS, PROTECTING GROUPS AND METHODS OF FORMING AND USING THE SAME THE UNIVERSITY OF MISSISSIPI (US) 2005-10-27 WO disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 US disclosed
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 AGXT 218/4885MMP2 162/4885MMP12 889/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN AGXT 204/4885MMP2 124/4885MMP12 596/4885
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP AGXT 573/4885MMP2 172/4885MMP12 303/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 AGXT 218/4885MMP2 162/4885MMP12 889/4885

“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.