SCHEMBL399208

SCHEMBL399208

CC(C)N(c1cccc(C(=O)O)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CACNA1B Q00975 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
SRD5A2 P31213 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HSD11B1 P28845 2/20 0.47
LMNA P02545 2/20 0.44
KAT6A Q92794 1/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL398480 0.85 MAPT (0.56) MEN1KMT2ACACNA1BNPSR1HDAC3
SCHEMBL19084656 0.82 MEN1 (0.69) MEN1KMT2ACACNA1BNPSR1HDAC3
SCHEMBL14666801 0.79 LMNA (0.50) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL397313 0.76 CACNA1B (0.56) MEN1KMT2ACACNA1BLMNA
SCHEMBL40186 0.76 SRD5A2 (0.77) MEN1KMT2ANPSR1SRD5A2LMNA
SCHEMBL29433907 0.76 SRD5A2 (0.77) MEN1KMT2ANPSR1SRD5A2LMNA
Hydrochloric Acid SCHEMBL10387616 0.74 SRD5A2 (0.74) MEN1KMT2ANPSR1SRD5A2LMNA
Hydrochloric Acid SCHEMBL30596522 0.74 SRD5A2 (0.74) MEN1KMT2ANPSR1SRD5A2LMNA
SCHEMBL29208534 0.74 SRD5A2 (0.74) MEN1KMT2ANPSR1SRD5A2LMNA
Fluoride SCHEMBL11120479 0.74 SRD5A2 (0.74) MEN1KMT2ANPSR1SRD5A2LMNA

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 10 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
CN-102282131-A Novel benzenesulfonamides as calcium channel blockers 2011-12-14 CN 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

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 MEN1 2267/4885KMT2A 4316/4885CACNA1B 6/4885
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 MEN1 2267/4885KMT2A 4316/4885CACNA1B 6/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 MEN1 2267/4885KMT2A 4316/4885CACNA1B 6/4885

“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.