SCHEMBL3485448

SCHEMBL3485448

O=C(CN1CCC(NC2(S(=O)(=O)c3ccccc3)CC2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.54
CHRNB4 P30926 4/20 0.54
CHRNA3 P32297 4/20 0.54
CHRNA4 P43681 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
REV1 Q9UBZ9 1/20 0.50
DRD4 P21917 1/20 0.50
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 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
SCHEMBL3485715 0.90 LMNA (0.54) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3485691 0.89 IDO1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3484955 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3485444 0.76 LMNA (0.57) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3484953 0.76 L3MBTL1 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL17731134 0.75 DRD4 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3454062 0.73 ALDH1A1 (0.73) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3486038 0.72 TSHR (0.59) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3485746 0.70 ALDH1A1 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3485542 0.70 SMN1; SMN2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2

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.