SCHEMBL3485587

SCHEMBL3485587

O=C(CC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.46
NR1I2 O75469 4/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3484973 0.89 CACNA1B (0.59) CACNA1BNR1I2CYP3A4
SCHEMBL3485481 0.79 CACNA1B (0.54) CACNA1BNR1I2CYP3A4ALDH1A1HTR2A
SCHEMBL3485970 0.77 CACNA1B (0.59) CACNA1BNR1I2CYP3A4
SCHEMBL3485689 0.76 IDO1 (0.53) CYP3A4ALDH1A1KMT2AMAPTPOLB
SCHEMBL3485323 0.74 ALDH1A1 (0.49) CACNA1BNR1I2CYP3A4ALDH1A1MAPT
SCHEMBL3486130 0.71 CACNA1B (0.54) CACNA1BNR1I2CYP3A4ALDH1A1
SCHEMBL4282408 0.70 CACNA1B (0.56) CACNA1BNR1I2CYP3A4HTR2AHTR2C
SCHEMBL3485937 0.70 ALDH1A1 (0.50) CACNA1BNR1I2ALDH1A1MAPTPOLB
SCHEMBL3485542 0.69 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL4285271 0.69 HTR2A (0.45) CACNA1BNR1I2CYP3A4HTR2AHTR2C

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.