SCHEMBL1498586

SCHEMBL1498586

O=C(CCl)N1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
CTSS P25774 1/20 0.46
KMT2A Q03164 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
ELOVL6 Q9H5J4 1/20 0.44
LMNA P02545 1/20 0.44
CACNA1B Q00975 7/20 0.44
NR1I2 O75469 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
EPHX2 P34913 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
SCHEMBL1761018 0.87 CNR1 (0.50) CNR1CTSSADORA2AADORA2BADORA1
SCHEMBL1498303 0.85 CNR1 (0.51) CNR1CTSSADORA2AADORA2BADORA1
SCHEMBL8234188 0.82 CACNA1B (0.65) LMNACACNA1BNR1I2
SCHEMBL12542343 0.82 CNR1 (0.49) CNR1CTSSKMT2AADORA2AADORA2B
SCHEMBL12692920 0.81 CTSS (0.52) CNR1CTSSGAAELOVL6LMNA
SCHEMBL28819244 0.81 LMNA (0.65) CNR1KMT2AMEN1GAALMNA
SCHEMBL28801608 0.81 CTSS (0.44) CNR1CTSSADORA2AADORA2BADORA1
SCHEMBL8236293 0.81 CACNA1B (0.51) GAACACNA1BNR1I2
SCHEMBL1498436 0.80 STS (0.58) CNR1ADORA2AADORA2BADORA1CACNA1B
SCHEMBL12688744 0.78 KMT2A (0.46) CNR1CTSSKMT2AMEN1GAA

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 CNR1 336/4885CTSS 911/4885KMT2A 3950/4885

“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.