SCHEMBL5199408

SCHEMBL5199408

NS(=O)(=O)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.46
PTGS1 P23219 10/20 0.46
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
GABRA2 P47869 2/20 0.41
SCD O00767 1/20 0.39
DRD1 P21728 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
SCHEMBL5198372 0.83 PTGS2 (0.45) PTGS2PTGS1GABRA2
SCHEMBL7778063 0.81 CA2 (0.51) PTGS2PTGS1CA2CA9CA12
SCHEMBL5198229 0.81 PTGS2 (0.39) PTGS2PTGS1CA2CA9CA1
SCHEMBL5197608 0.79 KDM4E (0.37) PTGS2PTGS1
SCHEMBL5490810 0.76 TGFBR1 (0.54)
SCHEMBL5199830 0.76 PIM1 (0.50)
SCHEMBL7779263 0.75 PTGS2 (0.51) PTGS2PTGS1CA2CA9CA12
SCHEMBL7780654 0.75 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL24312429 0.75 FEN1 (0.49)
SCHEMBL373516 0.75 TGFBR1 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 PTGS2 2062/4885PTGS1 1855/4885CA2 236/4885

“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.