SCHEMBL1498353

SCHEMBL1498353

O=C(O)NC1CCC(F)(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 7/20 0.40
▸ RORC P51449 9/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 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
SCHEMBL1498351 1.00 CETP (0.40) CETPRORCFFAR4MAPTXBP1
SCHEMBL12692914 0.87 CETP (0.36) CETPRORCFFAR4PSEN1PSEN2
SCHEMBL12688387 0.85 RORC (0.41) CETPRORC
SCHEMBL28801609 0.85 RORC (0.41) CETPRORC
SCHEMBL1498343 0.84 TACR1 (0.37) CETPRORCFFAR4PSEN1PSEN2
SCHEMBL1498438 0.84 TACR1 (0.37) CETPRORCFFAR4PSEN1PSEN2
SCHEMBL28801611 0.84 NPSR1 (0.46) RORCMAPTXBP1HTTEPHX2
SCHEMBL12542311 0.83 TAS1R3 (0.42) CETPRORCPSEN1PSEN2APH1B
SCHEMBL12688839 0.83 TAS1R3 (0.42) CETPRORCPSEN1PSEN2APH1B
SCHEMBL12542308 0.83 TAS1R3 (0.42) CETPRORCPSEN1PSEN2APH1B

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 CETP 4554/4885RORC 1695/4885FFAR4 1141/4885

“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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