SCHEMBL1498421

SCHEMBL1498421

CC(C)(C)NC(=O)OC1CCC(F)(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.35
▸ STS P08842 1/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ CCNE1 P24864 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL1498420 1.00 RORC (0.35) RORCSTSTACR1CCNE1CDK2
SCHEMBL1498535 0.84 PSEN1 (0.45) RORCGPR35
SCHEMBL27896615 0.84 PSEN1 (0.45) RORCGPR35
SCHEMBL28801609 0.80 RORC (0.41) RORCSTS
SCHEMBL12688387 0.80 RORC (0.41) RORCSTS
SCHEMBL1498343 0.77 TACR1 (0.37) RORCSTSTACR1
SCHEMBL1498438 0.77 TACR1 (0.37) RORCSTSTACR1
SCHEMBL12692914 0.77 CETP (0.36) RORC
SCHEMBL1498351 0.76 CETP (0.40) RORC
SCHEMBL1498353 0.76 CETP (0.40) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762534-A Aryl sulfone derivatives as calcium channel blockers ZALICUS PHARMACEUTICALS LTD 2012-10-31 — — CN 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 RORC 1695/4885STS 196/4885TACR1 266/4885

“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.

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