SCHEMBL956359

SCHEMBL956359

CCOC(=O)N1CCN(C(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
MDM2 Q00987 1/20 0.44
TLR2 O60603 2/20 0.44
TLR1 Q15399 1/20 0.44
P2RY12 Q9H244 3/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
TGM2 P21980 1/20 0.41

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
SCHEMBL956361 1.00 BACE1 (0.47) BACE1MDM2TLR2TLR1P2RY12
SCHEMBL951566 0.91 BACE1 (0.48) BACE1MDM2TLR2MDM4TP53
SCHEMBL951567 0.91 BACE1 (0.48) BACE1MDM2TLR2MDM4TP53
SCHEMBL2853531 0.89 MDM2 (0.45) BACE1MDM2TLR2TLR1MDM4
SCHEMBL2853534 0.89 MDM2 (0.45) BACE1MDM2TLR2TLR1MDM4
SCHEMBL13702142 0.89 TLR2 (0.53) BACE1MDM2TLR2TLR1TGM2
SCHEMBL3660132 0.88 BACE1 (0.41) BACE1TLR2TLR1P2RY12TGM2
SCHEMBL4912763 0.87 ITGB3 (0.50) BACE1MDM2TLR2TLR1
SCHEMBL10099568 0.86 MDM2 (0.47) MDM2TLR2TLR1MDM4TP53
SCHEMBL4915026 0.85 TLR2 (0.47) BACE1MDM2TLR2TLR1MDM4

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 BACE1 3862/4885MDM2 4724/4885TLR2 1355/4885

“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.