SCHEMBL3485577

SCHEMBL3485577

O=C(CN1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 5/20 0.46
RHOC P08134 3/20 0.46
RHOA P61586 3/20 0.46
POLB P06746 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
SLC6A9 P48067 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD4 P21917 2/20 0.45

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
SCHEMBL3485937 0.90 ALDH1A1 (0.50) TSHRMAPTLMNATP53ALDH1A1
SCHEMBL3486011 0.86 ALDH1A1 (0.57) TSHRMAPTLMNATP53ALDH1A1
SCHEMBL3485711 0.85 LMNA (0.57) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL13541731 0.85 NR1I2 (0.46) TSHRMAPTLMNAALDH1A1POLB
SCHEMBL3485832 0.84 CACNA1B (0.54) TSHRMAPTLMNATP53ALDH1A1
SCHEMBL3485714 0.84 DRD4 (0.50) TSHRMAPTLMNATP53ALDH1A1
SCHEMBL13541733 0.84 DRD4 (0.48) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL3485387 0.81 TSHR (0.54) TSHRMAPTLMNATP53ALDH1A1
SCHEMBL13541734 0.81 DRD4 (0.51) MAPTLMNAALDH1A1HSD17B10DRD4
SCHEMBL13541728 0.81 CACNA1B (0.55) TSHRMAPTLMNATP53ALDH1A1

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 2248/4885MAPT 4325/4885LMNA 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.