SCHEMBL1892350

SCHEMBL1892350

Nc1c(-c2ccc(S(N)(=O)=O)cc2)cc(F)cc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.52
PTGS2 P35354 13/20 0.49
PTGS1 P23219 12/20 0.49
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2C9 P11712 1/20 0.41

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
SCHEMBL13743069 0.87 KIF11 (0.65) KIF11PTGS2PTGS1ALOX5APFEN1
SCHEMBL1888623 0.82 FEN1 (0.46) KIF11ALOX5APFEN1
SCHEMBL1885330 0.79 L3MBTL1 (0.46) KIF11ALOX5APFEN1
SCHEMBL1656041 0.77 ALOX5AP (0.49) KIF11PTGS2PTGS1ALOX5APFEN1
SCHEMBL6732105 0.77 KIF11 (0.72) KIF11PTGS2PTGS1
SCHEMBL1886802 0.76 MPL (0.46) KIF11ALOX5APFEN1
SCHEMBL1892790 0.72 AHR (0.42) KIF11ALOX5APFEN1CA12CA1
SCHEMBL4263174 0.72 PTGS2 (0.72) PTGS2PTGS1CA12CA2CA9
SCHEMBL6733336 0.72 PTGS2 (0.67) KIF11PTGS2PTGS1CA12CA1
SCHEMBL6725503 0.71 PTGS2 (0.61) KIF11PTGS2PTGS1CA12CA2

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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US claimed
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US 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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA3, CHRM3 KIF11 3624/4885PTGS2 2679/4885PTGS1 2060/4885

“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.