SCHEMBL3486005

SCHEMBL3486005

COc1ccc(CNCCC(=O)N2CCC(N(C(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.46
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
AVPR1B P47901 1/20 0.42
NR1I2 O75469 1/20 0.41
TSHR P16473 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL3485873 0.92 CACNA1B (0.47) CACNA1BCCNCCDK8KDM4EALDH1A1
SCHEMBL3485709 0.90 CACNA1B (0.48) CACNA1BCCNCCDK8KDM4EALDH1A1
SCHEMBL3485704 0.86 CACNA1B (0.48) CACNA1BUBE2MDCUN1D1NR1I2
SCHEMBL3485373 0.86 CACNA1B (0.47) CACNA1BMAPTUBE2MDCUN1D1NR1I2
SCHEMBL3485681 0.85 CACNA1B (0.45) CACNA1BKDM4EALDH1A1GAAMAPT
SCHEMBL3485951 0.84 CACNA1B (0.46) CACNA1BKDM4EALDH1A1GAAMAPT
SCHEMBL3485954 0.84 CACNA1B (0.46) CACNA1BKDM4EALDH1A1GAAMAPT
SCHEMBL3485605 0.83 UBE2M (0.47) CACNA1BGAAUBE2MDCUN1D1NR1I2
SCHEMBL3485881 0.82 CACNA1B (0.59) CACNA1BNR1I2
SCHEMBL3485673 0.82 CACNA1B (0.49) CACNA1BMAPTALOX15UBE2MDCUN1D1

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 6 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

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 3/4885CCNC 827/4885CDK8 1950/4885

“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.