SCHEMBL3485937

SCHEMBL3485937

O=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 1/20 0.50
CACNA1B Q00975 9/20 0.48
NR1I2 O75469 3/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNT1 Q5JUK3 1/20 0.46
TP53 P04637 1/20 0.45
ELOVL6 Q9H5J4 1/20 0.45
DRD4 P21917 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL13541733 0.94 DRD4 (0.48) ALDH1A1LMNAHSD17B10CACNA1BNR1I2
SCHEMBL3486011 0.92 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10CACNA1BNR1I2
SCHEMBL3485577 0.90 TSHR (0.46) ALDH1A1LMNAHSD17B10MAPTTSHR
SCHEMBL3485832 0.89 CACNA1B (0.54) ALDH1A1LMNAHSD17B10CACNA1BNR1I2
SCHEMBL3485714 0.89 DRD4 (0.50) ALDH1A1LMNAHSD17B10CACNA1BNR1I2
SCHEMBL3485689 0.87 IDO1 (0.53) ALDH1A1LMNAMAPTSMN1; SMN2KCNT1
SCHEMBL3485387 0.86 TSHR (0.54) ALDH1A1LMNAHSD17B10CACNA1BNR1I2
SCHEMBL13541728 0.86 CACNA1B (0.55) ALDH1A1LMNAHSD17B10CACNA1BNR1I2
SCHEMBL13541734 0.86 DRD4 (0.51) ALDH1A1LMNAHSD17B10CACNA1BNR1I2
SCHEMBL3485429 0.84 CACNA1B (0.55) ALDH1A1LMNAHSD17B10CACNA1BNR1I2

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 7 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-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 ALDH1A1 2210/4885LMNA 1608/4885HSD17B10 4401/4885

“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.