SCHEMBL399654

SCHEMBL399654

CCOC(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.62
CA2 P00918 7/20 0.62
CA12 O43570 6/20 0.62
CA9 Q16790 6/20 0.62
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
BAZ2A Q9UIF9 1/20 0.49
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL395595 0.87 CA1 (0.58) CA1CA2CA12CA9CYP4F2
SCHEMBL10829304 0.86 CA1 (0.77) CA1CA2CA12CA9ALDH1A1
SCHEMBL10918857 0.79 CA1 (0.55) CA1CA2CA12CA9CYP4F2
SCHEMBL3471632 0.77 ALDH1A1 (0.67) CA1CA2CA12CA9ALDH1A1
SCHEMBL21046732 0.77 CA1 (0.47) CA1CA2CA12CA9CYP4F2
SCHEMBL120300 0.77 ALDH1A1 (0.56) CA1CA2CA12CA9ALDH1A1
SCHEMBL11951339 0.77 CA1 (0.56) CA1CA2CA12CA9CYP4F2
SCHEMBL11757774 0.76 CA12 (0.49) CA1CA2CA12CA9ALDH1A1
SCHEMBL8335693 0.76 CYP4F2 (0.53) CA1CA2CA12CA9CYP4F2
SCHEMBL5088670 0.76 CYP4F2 (0.56) CA1CA2CA12CA9CYP4F2

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 9 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

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 CA1 651/4885CA2 137/4885CA12 3024/4885
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 CA1 651/4885CA2 137/4885CA12 3024/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 CA1 651/4885CA2 137/4885CA12 3024/4885

“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.