SCHEMBL3554386

SCHEMBL3554386

C=CCc1ccc(C(F)(F)F)cc1S(=O)(=O)NC(C)(C)CC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 1/20 0.37
▸ TP53 P04637 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALOX5AP P20292 5/20 0.33
▸ FEN1 P39748 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ ALPL P05186 1/20 0.32

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
SCHEMBL3554384 0.79 CNR2 (0.39) CNR2
SCHEMBL3554209 0.79 PARG (0.45) PARGTP53L3MBTL1ALOX5APFEN1
SCHEMBL3554212 0.78 PARG (0.41) PARGTP53L3MBTL1ALOX5APFEN1
SCHEMBL3558367 0.77 KIF11 (0.39) ALOX5APFEN1LMNAKIF11
SCHEMBL23938540 0.73 CYP3A4 (0.37) —
SCHEMBL9797321 0.69 CES2 (0.37) ALDH1A1
SCHEMBL14854407 0.66 ALOX5AP (0.42) IDH1L3MBTL1ALOX5APFEN1ALDH1A1
SCHEMBL28231674 0.66 SLC6A4 (0.40) L3MBTL1ALDH1A1MCL1
SCHEMBL1986356 0.66 GABRA1 (0.46) ALDH1A1CNR2
SCHEMBL20751779 0.66 PDE2A (0.38) KIF11

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 PARG 1052/4885TP53 4817/4885IDH1 4869/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B PARG 934/4885TP53 4825/4885IDH1 4875/4885

“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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