Sugi Predict

Sugi Predict / Compounds / SCHEMBL954449

SCHEMBL954449

SCHEMBL954449

CCOC(=O)N1CCN(C(=O)[C@H](CCOCc2ccccc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.53
▸ P2RX7 Q99572 7/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ P2RY12 Q9H244 3/20 0.48
▸ PPARG P37231 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ ADORA1 P30542 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL954450 1.00 PPARA (0.53) PPARAP2RX7MAPK1P2RY12PPARG
SCHEMBL3330129 0.93 P2RY12 (0.50) PPARAP2RX7P2RY12
SCHEMBL3330120 0.93 P2RY12 (0.50) PPARAP2RX7P2RY12
SCHEMBL2538853 0.90 PPARA (0.60) PPARAP2RX7MAPK1P2RY12PPARG
SCHEMBL2538849 0.90 PPARA (0.60) PPARAP2RX7MAPK1P2RY12PPARG
SCHEMBL2577379 0.84 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL2577375 0.84 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL317118 0.84 P2RX7 (0.56) P2RX7P2RY12
SCHEMBL317119 0.84 P2RX7 (0.56) P2RX7P2RY12
SCHEMBL16466473 0.83 P2RX7 (0.63) P2RX7MAPK1CTSSADORA1KMT2A

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 PPARA 750/4885P2RX7 15/4885MAPK1 1885/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 PPARA 387/4885P2RX7 15/4885MAPK1 1240/4885

“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.