SCHEMBL3485673

SCHEMBL3485673

COc1ccccc1NCCC(=O)N1CCC(N(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.49
CACNA1C Q13936 1/20 0.46
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1I2 O75469 5/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3486140 0.94 CACNA1B (0.47) CACNA1BCACNA1CNR1I2UBE2MDCUN1D1
SCHEMBL3486053 0.93 CACNA1B (0.55) CACNA1BNR1I2UBE2MDCUN1D1CYP3A4
SCHEMBL3485681 0.92 CACNA1B (0.45) CACNA1BCACNA1CLMNATSHRUSP2
SCHEMBL3486812 0.90 CACNA1B (0.46) CACNA1BLMNAUSP2NR1I2UBE2M
SCHEMBL3486769 0.90 CACNA1B (0.46) CACNA1BLMNATSHRNR1I2UBE2M
SCHEMBL3485704 0.89 CACNA1B (0.48) CACNA1BCACNA1CNR1I2UBE2MDCUN1D1
SCHEMBL3485373 0.88 CACNA1B (0.47) CACNA1BCACNA1CLMNATSHRNR1I2
SCHEMBL3486143 0.88 CACNA1B (0.46) CACNA1BCACNA1CNR1I2UBE2MDCUN1D1
SCHEMBL3485709 0.87 CACNA1B (0.48) CACNA1BLMNATSHRALOX15HSD17B10
SCHEMBL3486029 0.86 CACNA1B (0.48) CACNA1BNR1I2UBE2MDCUN1D1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US claimed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US claimed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO claimed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 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 (1 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B CACNA1B 3/4885CACNA1C 10/4885LMNA 1608/4885

“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.