SCHEMBL3484955

SCHEMBL3484955

O=C(CN1CCC(NCS(=O)(=O)c2ccccc2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.58
CHRNB4 P30926 4/20 0.58
CHRNA3 P32297 4/20 0.58
CHRNA4 P43681 4/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
THRB P10828 1/20 0.55
REV1 Q9UBZ9 1/20 0.54
DRD4 P21917 1/20 0.53
ATM Q13315 1/20 0.52
GAA P10253 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL3485448 0.83 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL3485746 0.83 ALDH1A1 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL3485444 0.80 LMNA (0.57) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL3484953 0.79 L3MBTL1 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL17731134 0.78 DRD4 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL3485889 0.77 HTT (0.46) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3454062 0.76 ALDH1A1 (0.73) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL3486038 0.75 TSHR (0.59) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL3485691 0.75 IDO1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL3485254 0.75 POLB (0.44) SMN1; SMN2KDM4EDRD4

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 CHRNB2 371/4885CHRNB4 312/4885CHRNA3 169/4885

“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.