SCHEMBL3485780

SCHEMBL3485780

CN(C1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
CACNA1B Q00975 2/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 4/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
DRD4 P21917 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3485838 0.94 TSHR (0.58) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3486149 0.90 CACNA1B (0.57) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3486066 0.86 CACNA1B (0.56) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3485749 0.85 LMNA (0.56) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3485824 0.84 ALDH1A1 (0.52) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3486055 0.84 ALDH1A1 (0.62) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3485918 0.84 TSHR (0.56) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3486050 0.83 CACNA1B (0.50) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3485688 0.83 ALDH1A1 (0.50) POLBCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3485318 0.83 CACNA1B (0.54) POLBCACNA1BALDH1A1LMNAHSD17B10

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 5 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-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 POLB 4524/4885CACNA1B 3/4885ALDH1A1 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.