SCHEMBL952329

SCHEMBL952329

CC(C)(C)OC(=O)NC(CCC(=O)NCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.56
PPARA Q07869 2/20 0.51
SYK P43405 1/20 0.51
CTSS P25774 4/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
ACE P12821 1/20 0.50
KLK7 P49862 3/20 0.49
KLK5 Q9Y337 2/20 0.49
POLB P06746 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
PPARG P37231 1/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NTSR1 P30989 1/20 0.48

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
SCHEMBL952328 1.00 CTSK (0.56) CTSKPPARASYKCTSSBCHE
SCHEMBL24591248 0.91 SYK (0.54) CTSKSYKCTSSBCHEACHE
SCHEMBL15083131 0.90 KLK7 (0.51) CTSKPPARASYKCTSSBCHE
SCHEMBL23156977 0.90 KLK7 (0.51) CTSKPPARASYKCTSSBCHE
SCHEMBL203728 0.89 BCHE (0.49) CTSKPPARASYKCTSSBCHE
SCHEMBL24946322 0.89 PPARA (0.56) CTSKPPARASYKCTSSBCHE
SCHEMBL32662263 0.89 CTSK (0.60) CTSKPPARACTSSACECTSL
SCHEMBL21254111 0.88 PPARA (0.52) CTSKPPARASYKCTSSBCHE
SCHEMBL19198794 0.87 PPARA (0.54) CTSKPPARASYKCTSSACE
SCHEMBL2707177 0.87 PPARA (0.56) CTSKPPARASYKCTSSACE

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 CTSK 1809/4885PPARA 750/4885SYK 825/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 CTSK 2016/4885PPARA 387/4885SYK 677/4885

“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.