SCHEMBL396095

SCHEMBL396095

O=C(O)c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ERAP1 Q9NZ08 1/20 0.59
GAA P10253 1/20 0.59
GFER P55789 1/20 0.59
MAPT P10636 3/20 0.57
HSD17B10 Q99714 1/20 0.57
PFKFB3 Q16875 1/20 0.56
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
AR P10275 1/20 0.56
ESR2 Q92731 1/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
THRB P10828 1/20 0.55
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL5226880 0.89 GAA (0.62) AKR1C3MEN1KMT2AERAP1GAA
SCHEMBL14149924 0.88 PFKFB3 (0.62) AKR1C3MEN1KMT2AERAP1GAA
SCHEMBL5382460 0.87 MEN1 (0.52) AKR1C3MEN1KMT2AERAP1GAA
SCHEMBL22633492 0.85 GAA (0.68) AKR1C3MEN1KMT2AGAAMAPT
SCHEMBL14106182 0.85 PTPN1 (0.57) AKR1C3MEN1KMT2AERAP1GAA
SCHEMBL14408128 0.85 GAA (0.58) MEN1KMT2AGAAMAPTNR3C1
SCHEMBL30702318 0.84 PFKFB3 (0.76) AKR1C3MEN1KMT2AGFERMAPT
SCHEMBL30702319 0.84 PFKFB3 (0.76) AKR1C3MEN1KMT2AGFERMAPT
SCHEMBL4063367 0.84 PFKFB3 (0.76) AKR1C3MEN1KMT2AGFERMAPT
SCHEMBL14153140 0.84 PFKFB3 (0.67) AKR1C3MEN1KMT2AERAP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382191-B1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE BAHAMAS LTD (BS) 2014-11-12 EP disclosed
US-8741899-B2 (4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[(8aR)-hexahydropyrrolo-[1,2-a]pyrazin-2(1H)-ylcarbonyl]-benzenesulfonamide, and pharmaceutically acceptable salts thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-08-15 US disclosed
US-8404719-B2 Substituted piperidinylcarbonylbenzenesulfonamides as calcium channel blockers ABBVIE INC. (US) 2013-03-26 US disclosed
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-8101614-B2 Substituted pyrrolo [1,2-a] pyrazines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
EP-2382191-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories, Inc. (US) 2011-11-02 EP disclosed
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 US disclosed
WO-2010083264-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed
WO-2001098274-A2 SULPHONAMIDE DERIVATIVES CELLTECH CHIROSCIENCE LIMITED (GB) 2001-12-27 WO disclosed
WO-2001074786-A1 HETEROBIARYLSULPHONAMIDES AND THEIR USE AS PDE 7 INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-10-11 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 (3 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-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 AKR1C3 591/4885MEN1 2267/4885KMT2A 4316/4885
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 AKR1C3 591/4885MEN1 2267/4885KMT2A 4316/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 AKR1C3 591/4885MEN1 2267/4885KMT2A 4316/4885

“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.