SCHEMBL3485838

SCHEMBL3485838

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ALDH1A1 P00352 7/20 0.54
LMNA P02545 5/20 0.54
MAPT P10636 4/20 0.54
POLB P06746 3/20 0.53
CACNA1B Q00975 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 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
SCHEMBL3485780 0.94 POLB (0.55) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL3485918 0.89 TSHR (0.56) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL3484953 0.88 L3MBTL1 (0.61) ALDH1A1LMNAMAPTL3MBTL1APOBEC3A
SCHEMBL3486149 0.84 CACNA1B (0.57) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL3486038 0.83 TSHR (0.59) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL3485749 0.83 LMNA (0.56) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL3486026 0.83 MAPT (0.48) TSHRALDH1A1LMNAMAPTCACNA1B
SCHEMBL3485824 0.83 ALDH1A1 (0.52) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL3486066 0.83 CACNA1B (0.56) ALDH1A1LMNAMAPTPOLBCACNA1B
SCHEMBL3485429 0.83 CACNA1B (0.55) TSHRALDH1A1LMNAMAPTCACNA1B

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 TSHR 2248/4885ALDH1A1 2210/4885LMNA 1608/4885

“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.