SCHEMBL1498527

SCHEMBL1498527

CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCN(C(=O)CCl)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.47
KMT2A Q03164 2/20 0.45
RORC P51449 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKLR P30613 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1498307 0.86 RORC (0.50) CACNA1BRORCSMN1; SMN2GAACYP3A4
SCHEMBL12692910 0.82 HTT (0.45) CACNA1BRORCSMN1; SMN2PKLRHTT
SCHEMBL28799511 0.81 CACNA1B (0.41) CACNA1BKMT2ARORCSMN1; SMN2GAA
SCHEMBL1498322 0.81 STS (0.50) CACNA1BRORCALDH1A1
SCHEMBL12692909 0.81 CNR1 (0.47) CACNA1BKMT2ARORCSMN1; SMN2GAA
SCHEMBL28819244 0.80 LMNA (0.65) KMT2ASMN1; SMN2GAAMEN1CNR1
SCHEMBL1498586 0.78 CNR1 (0.47) CACNA1BKMT2AGAAMEN1CNR1
SCHEMBL8234188 0.77 CACNA1B (0.65) CACNA1BCYP3A4ALDH1A1
SCHEMBL28799513 0.77 GAA (0.38) CACNA1BKMT2ARORCSMN1; SMN2GAA
SCHEMBL27896608 0.77 RORC (0.40) CACNA1BKMT2ARORCSMN1; SMN2GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
EP-2477963-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2012-07-25 EP disclosed
WO-2011035159-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-24 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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A CACNA1B 6/4885KMT2A 3950/4885RORC 1695/4885

“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.