SCHEMBL409974

SCHEMBL409974

CC(C)(C)OC(=O)O/N=C(/C#N)c1ccccc1.CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.50
MAPT P10636 2/20 0.44
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNF P01375 1/20 0.37
KLF5 Q13887 1/20 0.37
NOD1 Q9Y239 1/20 0.37
USP2 O75604 1/20 0.37
CTSS P25774 7/20 0.36
CTSK P43235 4/20 0.36
AAK1 Q2M2I8 1/20 0.36
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSL P07711 3/20 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
SCHEMBL8627827 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL209658 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL73083 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL209659 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL8547007 0.93 PLA2G7 (0.45) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL7045591 0.87 ELANE (0.41) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL25377184 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL2635874 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL2635878 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL11330082 0.86 ELANE (0.41) PLA2G7MAPTELANETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988078-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2012-10-17 EP disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-7776891-B2 VLA-4 antagonists MERCK SHARP & DOHME CORP. (US) 2010-08-17 US disclosed
EP-2097399-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-09 EP disclosed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
EP-1781686-B1 VLA-4 ANTAGONISTS MERCK & CO INC (US) 2009-05-06 EP disclosed
US-7514409-B2 VLA-4 antagonists MERCK & CO., INC. (US) 2009-04-07 US disclosed
US-20090069376-A1 VLA-4 Antagonists MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
EP-1184374-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2009-01-28 EP disclosed
US-6303625-B1 FIBRINOGEN RECEPTOR ANTAGONISTS WHICH INHIBIT PLATELET AGGREGATION AND ARE USEFUL IN TREATING THROMBOTIC DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-10-16 US disclosed
US-6191145-B1 ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-02-20 US disclosed
US-6162925-A Antibiotic for methicillin resistant bacteria RESEARCH CORPORATION TECH., INC. (US) 2000-12-19 US disclosed
US-6110925-A EFFECTIVE AGAINST STAPHYLOCOCCUS; ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-08-29 US disclosed
EP-1003727-A1 ANTIBIOTIC FOR METHICILLIN RESISTANT BACTERIA RESEARCH CORPORATION TECHNOLOGIES (US) 2000-05-31 EP disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
US-6066651-A ANTITHROMBOTIC AGENTS BY VIRTUE OF THEIR ABILITY TO PREVENT PLATELET AGGREGATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-05-23 US disclosed
WO-1999007685-A1 ANTIBIOTIC FOR METHICILLIN RESISTANT BACTERIA RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-02-18 WO disclosed
US-5776933-A Method of inhibiting protease E. R. SQUIBB & SONS, INC. (US) 1998-07-07 US disclosed
US-5760036-A ENZYME INHIBITORS OF RETROVIRAL PROTEASE FOR PREVENTION OF AIDS E. R. SQUIBB & SONS, INC. (US) 1998-06-02 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 (3 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-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 PLA2G7 204/4885MAPT 2654/4885ELANE 64/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 PLA2G7 204/4885MAPT 2654/4885ELANE 64/4885
US-20090069376-A1 VLA-4 Antagonists VCAM1, SELPLG, ITGB4 PLA2G7 1686/4885MAPT 4429/4885ELANE 1071/4885

“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.