SCHEMBL3486814

SCHEMBL3486814

Cc1cccc(NCCC(=O)N2CCC(N(C(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CACNA1B Q00975 14/20 0.46
NR1I2 O75469 6/20 0.44
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 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
SCHEMBL3486610 0.92 CACNA1B (0.48) UBE2MDCUN1D1USP2ALDH1A1CACNA1B
SCHEMBL3486010 0.91 CACNA1B (0.46) UBE2MDCUN1D1USP2ALDH1A1CACNA1B
SCHEMBL3485373 0.89 CACNA1B (0.47) UBE2MDCUN1D1CACNA1BNR1I2CYP3A4
SCHEMBL3485692 0.89 CACNA1B (0.46) UBE2MDCUN1D1USP2ALDH1A1CACNA1B
SCHEMBL3486052 0.89 CACNA1B (0.49) UBE2MDCUN1D1USP2ALDH1A1CACNA1B
SCHEMBL3485902 0.89 CACNA1B (0.46) UBE2MDCUN1D1USP2ALDH1A1CACNA1B
SCHEMBL3485529 0.89 CACNA1B (0.55) UBE2MDCUN1D1CACNA1BNR1I2CYP3A4
SCHEMBL3486080 0.88 CACNA1B (0.46) UBE2MDCUN1D1USP2ALDH1A1CACNA1B
SCHEMBL3486812 0.87 CACNA1B (0.46) UBE2MDCUN1D1USP2ALDH1A1CACNA1B
SCHEMBL3485704 0.87 CACNA1B (0.48) UBE2MDCUN1D1CACNA1BNR1I2CYP3A4

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 UBE2M 4024/4885DCUN1D1 3781/4885USP2 3402/4885

“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.