SCHEMBL3554209

SCHEMBL3554209

C=CCc1ccccc1S(=O)(=O)NC(C)(C)CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 1/20 0.45
▸ ALOX5AP P20292 2/20 0.38
▸ FEN1 P39748 2/20 0.38
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ ATM Q13315 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL3554386 0.79 PARG (0.37) PARGALOX5APFEN1TP53ALDH1A1
SCHEMBL8605185 0.76 GABRA1 (0.37) ALDH1A1GABRA1GABRB2KDM4EPOLB
SCHEMBL4564656 0.75 KDM4E (0.44) ALDH1A1KMT2AGABRA1GABRB2KDM4E
SCHEMBL9203385 0.74 GABRA1 (0.40) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL636219 0.73 POLB (0.44) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL3560744 0.73 RECQL (0.53) PARGALOX5APFEN1TP53KMT2A
SCHEMBL22648418 0.73 PARG (0.50) PARGALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL3299832 0.72 GABRA1 (0.41) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL10590041 0.72 GABRA1 (0.41) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL10752021 0.72 GABRA1 (0.41) ALDH1A1MEN1KMT2AGABRA1GABRB2

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 1052/4885ALOX5AP 406/4885FEN1 4771/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B PARG 934/4885ALOX5AP 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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