SCHEMBL953399

SCHEMBL953399

CC(C)(C)OC(=O)NC(CCc1nn[nH]n1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.67
PLA2G2C Q5R387 2/20 0.42
CTSK P43235 3/20 0.41
CTSS P25774 2/20 0.41
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
ITGAV P06756 1/20 0.39
ITGB6 P18564 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.39
ACE P12821 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FPR2 P25090 1/20 0.39
GART P22102 1/20 0.39
ATIC P31939 1/20 0.39
PPARD Q03181 2/20 0.38

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
SCHEMBL953397 1.00 NAALAD2 (0.67) NAALAD2PLA2G2CCTSKCTSSPPARA
SCHEMBL17477529 0.87 NAALAD2 (0.49) NAALAD2CTSKCTSSPPARAPPARG
SCHEMBL16017462 0.87 NAALAD2 (0.49) NAALAD2CTSKCTSSPPARAPPARG
SCHEMBL953282 0.80 P2RY12 (0.45) NAALAD2CA12CA1CA2CA9
SCHEMBL953285 0.80 P2RY12 (0.45) NAALAD2CA12CA1CA2CA9
SCHEMBL29123561 0.79 KLK5 (0.42) NAALAD2CTSKCTSSCA12CA1
SCHEMBL30006166 0.79 KLK5 (0.42) NAALAD2CTSKCTSSCA12CA1
SCHEMBL1467959 0.76 NPSR1 (0.51) NAALAD2ALDH1A1CA12CA1CA2
SCHEMBL29255012 0.75 MMEL1 (0.41) NAALAD2CA12CA1CA2CA9
SCHEMBL14150791 0.73 CTSK (0.56) CTSKCTSSPPARAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (2 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 NAALAD2 3039/4885PLA2G2C 282/4885CTSK 1809/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 NAALAD2 2399/4885PLA2G2C 255/4885CTSK 2016/4885

“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.