SCHEMBL951707

SCHEMBL951707

CC(C)(C)OC(=O)NC1CC1(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
BTK Q06187 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSK P43235 2/20 0.40
APLNR P35414 1/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM1A O60341 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL20264346 1.00 NFKB1 (0.44) NFKB1NFKB2RELABTKGAA
SCHEMBL26649095 0.84 BTK (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL26648951 0.84 BTK (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL26648983 0.84 BTK (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL26649334 0.84 BTK (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL30848538 0.84 BTK (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL26648979 0.84 BTK (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL18208890 0.83 BTK (0.50) NFKB1NFKB2RELABTKGAA
SCHEMBL18208894 0.83 BTK (0.50) NFKB1NFKB2RELABTKGAA
SCHEMBL31500193 0.83 BTK (0.40) NFKB1NFKB2RELABTKGAA

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 NFKB1 2686/4885NFKB2 3373/4885RELA 2150/4885

“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.