SCHEMBL398558

SCHEMBL398558

O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.75
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 3/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL3 Q96JM7 4/20 0.59
CACNA1H O95180 1/20 0.56
MBTD1 Q05BQ5 1/20 0.55
L3MBTL4 Q8NA19 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
SCHEMBL399296 0.99 L3MBTL1 (0.77) L3MBTL1POLBTDP1ALDH1A1PKM
SCHEMBL398692 0.91 POLB (0.72) L3MBTL1POLBTDP1ALDH1A1PKM
SCHEMBL399293 0.90 POLB (0.74) L3MBTL1POLBTDP1ALDH1A1PKM
SCHEMBL399014 0.90 L3MBTL3 (0.64) L3MBTL1POLBTDP1ALDH1A1PKM
SCHEMBL397289 0.89 ALDH1A1 (0.68) L3MBTL1POLBTDP1ALDH1A1PKM
SCHEMBL397752 0.88 ALDH1A1 (0.66) L3MBTL1POLBALDH1A1PKMRAB9A
SCHEMBL399539 0.86 CACNA1H (0.75) L3MBTL1POLBTDP1ALDH1A1PKM
SCHEMBL395930 0.85 CACNA1H (0.76) L3MBTL1POLBTDP1ALDH1A1MEN1
SCHEMBL397957 0.84 CACNA1H (0.78) L3MBTL1POLBTDP1ALDH1A1MEN1
SCHEMBL397972 0.83 ALDH1A1 (0.80) L3MBTL1POLBALDH1A1PKMRAB9A

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-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
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 US 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
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 US 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 L3MBTL1 1498/4885POLB 4211/4885TDP1 3064/4885
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 L3MBTL1 1498/4885POLB 4211/4885TDP1 3064/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 L3MBTL1 1498/4885POLB 4211/4885TDP1 3064/4885

“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.