SCHEMBL3484989

SCHEMBL3484989

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.55
CACNA1B Q00975 3/20 0.48
NR1I2 O75469 2/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 3/20 0.47
TSHR P16473 1/20 0.45
CETP P11597 1/20 0.44
TP53 P04637 1/20 0.44
DRD4 P21917 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
CCR2 P41597 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL3485824 0.91 ALDH1A1 (0.52) RORCCACNA1BALDH1A1LMNAHSD17B10
SCHEMBL3485918 0.90 TSHR (0.56) CACNA1BNR1I2ALDH1A1LMNAHSD17B10
SCHEMBL13541699 0.89 DRD4 (0.49) RORCALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3485688 0.89 ALDH1A1 (0.50) CACNA1BALDH1A1LMNAHSD17B10MAPT
SCHEMBL3485300 0.88 SMN1; SMN2 (0.52) CACNA1BALDH1A1LMNAHSD17B10MAPT
SCHEMBL3485926 0.87 CACNA1B (0.53) CACNA1BALDH1A1LMNAHSD17B10MAPT
SCHEMBL3485705 0.86 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL3485265 0.84 ALDH1A1 (0.47) CACNA1BALDH1A1LMNAHSD17B10MAPT
SCHEMBL3485799 0.83 CACNA1B (0.51) RORCCACNA1BNR1I2ALDH1A1UBE2M
SCHEMBL3759221 0.83 ALDH1A1 (0.47) RORCALDH1A1LMNAHSD17B10MAPT

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 RORC 3669/4885CACNA1B 3/4885NR1I2 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.