SCHEMBL951709

SCHEMBL951709

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCCCOCc1ccccc1)C(=O)N1CCN(C(=O)OC2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.43
F2 P00734 2/20 0.43
TPSAB1 Q15661 8/20 0.37
TPSD1 Q9BZJ3 8/20 0.37
TPSG1 Q9NRR2 8/20 0.37
P2RY12 Q9H244 2/20 0.36
BCHE P06276 1/20 0.34
GHSR Q92847 1/20 0.34
TEAD3 Q99594 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR1 P25103 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL957065 0.90 ALDH1A1 (0.41) P2RY12NPC1RAB9ASMN1; SMN2
SCHEMBL953484 0.88 P2RY12 (0.40) P2RY12
SCHEMBL954488 0.81 MMP3 (0.40) SMN1; SMN2EPOR
SCHEMBL950857 0.77 PRSS1 (0.52) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL950858 0.77 PRSS1 (0.52) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL951712 0.77 PRCP (0.48) PRSS1F2P2RY12
SCHEMBL951711 0.77 PRCP (0.48) PRSS1F2P2RY12
SCHEMBL30054455 0.72 TSHR (0.40) DPP7
SCHEMBL25179502 0.71 TSHR (0.42) DPP7
SCHEMBL8893033 0.70 CYP1A2 (0.37) EPOR

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 PRSS1 1721/4885F2 70/4885TPSAB1 236/4885

“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.