SCHEMBL3558367

SCHEMBL3558367

C=CCc1ccc(C(F)(F)F)cc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.39
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTGES2 Q9H7Z7 7/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ CA12 O43570 1/20 0.35

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
SCHEMBL9285697 0.78 XDH (0.46) POLBKMT2AARCA1CA2
SCHEMBL3554386 0.77 PARG (0.37) KIF11ALOX5APFEN1LMNA
SCHEMBL3554384 0.76 CNR2 (0.39) CA1CA2
SCHEMBL9797321 0.76 CES2 (0.37) POLBIDO1
SCHEMBL1986356 0.76 GABRA1 (0.46) POLBKMT2AIDO1
SCHEMBL18985068 0.75 CA1 (0.55) KIF11ALOX5APFEN1PTGES2KMT2A
SCHEMBL29913652 0.75 CA1 (0.55) KIF11ALOX5APFEN1PTGES2KMT2A
SCHEMBL23938540 0.74 CYP3A4 (0.37) IDO1
SCHEMBL27961643 0.74 SLC6A4 (0.38) KIF11ALOX5APFEN1PTGES2
SCHEMBL18586382 0.72 IDO1 (0.40) KIF11KMT2ALMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 — — EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 — — US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 — — US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 — — EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 — — WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 — — 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 (2 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A KIF11 4473/4885ALOX5AP 406/4885FEN1 4771/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B KIF11 4437/4885ALOX5AP 407/4885FEN1 4800/4885

“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.

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