SCHEMBL933889

SCHEMBL933889

CS(=O)(=O)c1ccc(CNc2cc(F)cc(C#N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 2/20 0.43
GHSR Q92847 2/20 0.43
VNN1 O95497 1/20 0.43
CYP19A1 P11511 1/20 0.43
PPARA Q07869 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
NAMPT P43490 1/20 0.39
EPHX2 P34913 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2J2 P51589 1/20 0.39
EGLN2 Q96KS0 1/20 0.39

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
SCHEMBL27374894 0.81 SOS1 (0.51) PTGS2PTGS1EPHX2CYP2C9CYP2C19
SCHEMBL30751412 0.81 SOS1 (0.51) PTGS2PTGS1EPHX2CYP2C9CYP2C19
SCHEMBL501904 0.79 MAPT (0.49) VNN1PPARA
SCHEMBL6692382 0.75 PTGS2 (0.51) PTGS2PTGS1GHSRVNN1NAMPT
SCHEMBL28249055 0.71 MAPT (0.51)
SCHEMBL6693546 0.71 FFAR1 (0.49) PTGS2PTGS1GHSRVNN1CYP19A1
SCHEMBL951028 0.71 VNN1 (0.45) VNN1
SCHEMBL2085432 0.70 EPAS1 (0.57) PTGS2PTGS1
SCHEMBL13736518 0.70 PGR (0.39)
SCHEMBL6696110 0.68 RXFP1 (0.46) PTGS2PTGS1GHSRVNN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGS2 365/4885PTGS1 220/4885GHSR 2577/4885

“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.