SCHEMBL397972

SCHEMBL397972

O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.80
RXFP1 Q9HBX9 1/20 0.64
POLB P06746 3/20 0.59
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
L3MBTL3 Q96JM7 3/20 0.56
LMNA P02545 3/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
CACNA1H O95180 1/20 0.51
L3MBTL4 Q8NA19 1/20 0.51

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
SCHEMBL397752 0.91 ALDH1A1 (0.66) ALDH1A1RXFP1POLBL3MBTL1L3MBTL3
SCHEMBL397289 0.91 ALDH1A1 (0.68) ALDH1A1RXFP1POLBL3MBTL1L3MBTL3
SCHEMBL398997 0.89 ALDH1A1 (0.72) ALDH1A1RXFP1POLBGAAL3MBTL1
SCHEMBL396082 0.88 ALDH1A1 (0.70) ALDH1A1RXFP1POLBGAAL3MBTL1
SCHEMBL15746822 0.88 ALDH1A1 (0.70) ALDH1A1RXFP1POLBGAAL3MBTL1
SCHEMBL399293 0.87 POLB (0.74) ALDH1A1POLBL3MBTL1L3MBTL3LMNA
SCHEMBL399014 0.87 L3MBTL3 (0.64) ALDH1A1POLBL3MBTL1L3MBTL3LMNA
SCHEMBL398692 0.87 POLB (0.72) ALDH1A1POLBL3MBTL1L3MBTL3LMNA
SCHEMBL399296 0.84 L3MBTL1 (0.77) ALDH1A1POLBL3MBTL1L3MBTL3KMT2A
SCHEMBL398558 0.83 L3MBTL1 (0.75) ALDH1A1POLBL3MBTL1L3MBTL3KMT2A

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 16 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 claimed
US-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-08-15 US claimed
US-8404719-B2 Substituted piperidinylcarbonylbenzenesulfonamides as calcium channel blockers ABBVIE INC. (US) 2013-03-26 US claimed
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2012-04-05 US claimed
EP-2382191-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories, Inc. (US) 2011-11-02 EP claimed
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 US claimed
WO-2010083264-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-07-22 WO claimed
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 ALDH1A1 1038/4885RXFP1 540/4885POLB 4211/4885
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 ALDH1A1 1038/4885RXFP1 540/4885POLB 4211/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 ALDH1A1 1038/4885RXFP1 540/4885POLB 4211/4885

“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.