SCHEMBL953485

SCHEMBL953485

CCCCOC(=O)N1CCN(C(=O)[C@H](CCCCOCc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.50
P2RY12 Q9H244 7/20 0.45
PRCP P42785 1/20 0.45
TGM2 P21980 1/20 0.45
TNF P01375 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL953486 1.00 TLR2 (0.50) TLR2P2RY12PRCPTGM2TNF
SCHEMBL957067 0.94 TLR2 (0.48) TLR2PRCPTGM2TNFHDAC1
SCHEMBL957066 0.94 TLR2 (0.48) TLR2PRCPTGM2TNFHDAC1
SCHEMBL951711 0.88 PRCP (0.48) TLR2P2RY12PRCPTGM2HDAC1
SCHEMBL951712 0.88 PRCP (0.48) TLR2P2RY12PRCPTGM2HDAC1
SCHEMBL954490 0.81 TLR2 (0.57) TLR2TNFHDAC1HDAC2
SCHEMBL954489 0.81 TLR2 (0.57) TLR2TNFHDAC1HDAC2
SCHEMBL5326945 0.79 TLR2 (0.53) TLR2TNFHDAC1HDAC2
SCHEMBL3330120 0.79 P2RY12 (0.50) P2RY12
SCHEMBL3330129 0.79 P2RY12 (0.50) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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 (1 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 TLR2 1355/4885P2RY12 2/4885PRCP 1197/4885

“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.