SCHEMBL952832

SCHEMBL952832

C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OCC)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
TGM2 P21980 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
CTSK P43235 1/20 0.39
GAA P10253 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL952834 1.00 SMN1; SMN2 (0.47) SMN1; SMN2TGM2CYP1A2CYP2C9CYP2C19
SCHEMBL29060223 0.86 CTSK (0.44) SMN1; SMN2TGM2HRH2HRH1KMT2A
SCHEMBL3332096 0.84 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL3332100 0.84 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL316667 0.81 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL316668 0.81 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL13950543 0.81 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL8070420 0.81 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL2585308 0.80 P2RY12 (0.50) CYP1A2CYP2C9CYP2C19HTTTSHR
SCHEMBL2585311 0.80 P2RY12 (0.50) CYP1A2CYP2C9CYP2C19HTTTSHR

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 SMN1; SMN2 4214/4885TGM2 3869/4885CYP1A2 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.