SCHEMBL12688387

SCHEMBL12688387

CC(C)(C)OC(=O)N[C@H]1CC[C@@](F)(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 15/20 0.41
▸ STS P08842 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CETP P11597 1/20 0.35
▸ CCRL2 O00421 1/20 0.34

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
SCHEMBL28801609 1.00 RORC (0.41) RORCSTSPARP1KDM1AMAOB
SCHEMBL1498339 0.86 RORC (0.45) RORC
SCHEMBL1498353 0.85 CETP (0.40) RORCCETP
SCHEMBL1498351 0.85 CETP (0.40) RORCCETP
SCHEMBL1498438 0.81 TACR1 (0.37) RORCSTSCETP
SCHEMBL1498343 0.81 TACR1 (0.37) RORCSTSCETP
SCHEMBL12692914 0.81 CETP (0.36) RORCCETP
SCHEMBL1498421 0.80 RORC (0.35) RORCSTS
SCHEMBL1498420 0.80 RORC (0.35) RORCSTS
SCHEMBL12543508 0.79 CACNA1B (0.41) RORCCETP

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 2 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

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 196/4885PARP1 4752/4885

“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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