SCHEMBL3485273

SCHEMBL3485273

O=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1cncc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 16/20 0.51
NR1I2 O75469 7/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL3485429 0.90 CACNA1B (0.55) CACNA1BNR1I2CYP3A4TSHRALDH1A1
SCHEMBL3485387 0.89 TSHR (0.54) CACNA1BNR1I2CYP3A4TSHRALDH1A1
SCHEMBL3486055 0.87 ALDH1A1 (0.62) CACNA1BNR1I2CYP3A4TSHRALDH1A1
SCHEMBL3486149 0.87 CACNA1B (0.57) CACNA1BNR1I2CYP3A4TSHRALDH1A1
SCHEMBL3486011 0.87 ALDH1A1 (0.57) CACNA1BNR1I2CYP3A4TSHRALDH1A1
SCHEMBL13541736 0.86 CACNA1B (0.54) CACNA1BNR1I2CYP3A4TSHRALDH1A1
SCHEMBL3485364 0.84 CACNA1B (0.53) CACNA1BNR1I2CYP3A4TSHRALDH1A1
SCHEMBL3485648 0.84 CACNA1B (0.53) CACNA1BNR1I2CYP3A4TSHRALDH1A1
SCHEMBL3485553 0.84 CACNA1B (0.57) CACNA1BNR1I2CYP3A4ALDH1A1LMNA
SCHEMBL3485832 0.84 CACNA1B (0.54) CACNA1BNR1I2CYP3A4TSHRALDH1A1

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 11 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-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
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
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 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 1340/4885CYP3A4 771/4885

“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.