SCHEMBL399002

SCHEMBL399002

CCOC(=O)c1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 3/20 0.53
ACLY P53396 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.48
DDX3X O00571 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
AR P10275 1/20 0.46
NHERF1 O14745 1/20 0.46

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
SCHEMBL9652722 0.93 LMNA (0.53) LMNASMN1; SMN2TSHRACLYNPSR1
SCHEMBL399038 0.89 ALDH1A1 (0.60) LMNASMN1; SMN2TSHRACLYNPSR1
SCHEMBL399284 0.84 LMNA (0.64) LMNASMN1; SMN2DDX3XALDH1A1MAPT
SCHEMBL11518133 0.82 TSHR (0.58) LMNASMN1; SMN2TSHRKMT2AALDH1A1
SCHEMBL399983 0.81 AKR1C3 (0.59) TSHRKMT2AMAPTTP53THRB
SCHEMBL10922923 0.80 TSHR (0.56) LMNASMN1; SMN2TSHRKMT2ADDX3X
SCHEMBL395600 0.80 HIF1A (0.61) LMNASMN1; SMN2TSHRNPSR1KMT2A
SCHEMBL29015042 0.79 MAPT (0.53) LMNASMN1; SMN2TSHRNPSR1ALDH1A1
SCHEMBL9652614 0.79 ACLY (0.61) SMN1; SMN2ACLYKMT2AALDH1A1MAPT
SCHEMBL17978539 0.79 NPSR1 (0.56) LMNASMN1; SMN2TSHRACLYNPSR1

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 LMNA 868/4885SMN1; SMN2 973/4885TSHR 1660/4885
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 LMNA 868/4885SMN1; SMN2 973/4885TSHR 1660/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 LMNA 868/4885SMN1; SMN2 973/4885TSHR 1660/4885

“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.