SCHEMBL953169

SCHEMBL953169

CCOC(=O)N1CCN(C(=O)[C@H](CC(O)CO)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
CTSK P43235 9/20 0.50
CTSL P07711 6/20 0.50
CTSS P25774 4/20 0.50
P2RX7 Q99572 4/20 0.50
CTSB P07858 2/20 0.50
GAA P10253 1/20 0.50
TGM2 P21980 1/20 0.49
P2RY12 Q9H244 2/20 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
SCHEMBL953165 1.00 TSHR (0.51) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL953167 1.00 TSHR (0.51) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3334002 0.89 TSHR (0.53) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3333993 0.89 TSHR (0.53) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL2583553 0.85 P2RY12 (0.58) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL2583559 0.85 P2RY12 (0.58) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL954454 0.84 TGM2 (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL954457 0.84 TGM2 (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL2538475 0.83 P2RY12 (0.59) TGM2P2RY12
SCHEMBL318137 0.83 P2RX7 (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9

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 TSHR 1012/4885ALDH1A1 1179/4885CYP1A2 1247/4885

“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.