SCHEMBL3485481

SCHEMBL3485481

CN(C1CCN(C(=O)CC(=O)Nc2ccc(F)cc2F)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.54
RORC P51449 1/20 0.51
NR1I2 O75469 6/20 0.50
CYP3A4 P08684 2/20 0.50
HTR2A P28223 2/20 0.48
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42

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 0.91 CACNA1B (0.59) CACNA1BRORCNR1I2CYP3A4
SCHEMBL3485323 0.84 ALDH1A1 (0.49) CACNA1BRORCNR1I2CYP3A4ALDH1A1
SCHEMBL8234188 0.80 CACNA1B (0.65) CACNA1BNR1I2CYP3A4HTR2AHTR2C
SCHEMBL3485587 0.79 CACNA1B (0.46) CACNA1BNR1I2CYP3A4HTR2AHTR2C
SCHEMBL3485970 0.79 CACNA1B (0.59) CACNA1BNR1I2CYP3A4
SCHEMBL3486029 0.78 CACNA1B (0.48) CACNA1BRORCNR1I2CYP3A4
SCHEMBL3485838 0.77 TSHR (0.58) CACNA1BCYP3A4HTR2AHTR2CALDH1A1
SCHEMBL1642489 0.75 LMNA (0.59) RORCALDH1A1
SCHEMBL3486130 0.74 CACNA1B (0.54) CACNA1BNR1I2CYP3A4ALDH1A1
SCHEMBL3485780 0.73 POLB (0.55) CACNA1BCYP3A4HTR2AHTR2CALDH1A1

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
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-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 3/4885RORC 3669/4885NR1I2 1340/4885

“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.