SCHEMBL3486149

SCHEMBL3486149

O=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.57
NR1I2 O75469 7/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 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
SCHEMBL3486066 0.94 CACNA1B (0.56) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL3486055 0.94 ALDH1A1 (0.62) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL15891023 0.93 CACNA1B (0.49) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL3486011 0.92 ALDH1A1 (0.57) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL3486050 0.92 CACNA1B (0.50) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL3485318 0.91 CACNA1B (0.54) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL3485429 0.91 CACNA1B (0.55) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL3485364 0.90 CACNA1B (0.53) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL3485553 0.90 CACNA1B (0.57) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL3485832 0.90 CACNA1B (0.54) CACNA1BNR1I2ALDH1A1LMNAHSD17B10

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 4 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 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
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 3/4885NR1I2 1340/4885ALDH1A1 2210/4885

“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.