SCHEMBL3038735

SCHEMBL3038735

CC(Sc1cccc(C(F)(F)F)c1)C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
TACR1 P25103 7/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
STS P08842 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
GHSR Q92847 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MC4R P32245 1/20 0.37
TGFBR1 P36897 1/20 0.37

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
SCHEMBL2190031 0.91 USP30 (0.45) TACR1MAPTPOLBGPR119STS
SCHEMBL3043410 0.89 GPR119 (0.46) MAPTPOLBGPR119STSL3MBTL1
SCHEMBL15108577 0.80 SMYD3 (0.38) MAPTPOLBGPR119STSTGFBR1
SCHEMBL14701461 0.78 TACR1 (0.48) RORCTACR1MAPTGPR119GHSR
SCHEMBL25571889 0.78 GPR119 (0.57) MAPTGPR119L3MBTL1
SCHEMBL3031564 0.77 CACNA1B (0.52) RORCSTSTGFBR1
SCHEMBL3135336 0.77 NAMPT (0.44) RORCTACR1MAPTPOLBRXFP1
SCHEMBL7921625 0.77 GPR119 (0.48) MAPTGPR119NPSR1L3MBTL1
SCHEMBL1498332 0.76 STS (0.49) TACR1MAPTPOLBGPR119STS
SCHEMBL7930215 0.74 USP30 (0.51) MAPTGPR119L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO 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-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D RORC 208/4885TACR1 889/4885MAPT 443/4885
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D RORC 208/4885TACR1 889/4885MAPT 443/4885

“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.