SCHEMBL1498535

SCHEMBL1498535

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45
▸ RORC P51449 10/20 0.35
▸ GPR35 Q9HC97 4/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ S1PR2 O95136 1/20 0.31

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
SCHEMBL27896615 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1498420 0.84 RORC (0.35) RORCGPR35
SCHEMBL1498421 0.84 RORC (0.35) RORCGPR35
SCHEMBL27896524 0.82 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12688451 0.82 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1498354 0.81 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1498352 0.81 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12692914 0.78 CETP (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1498353 0.78 CETP (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1498351 0.78 CETP (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 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
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 PSEN1 676/4885PSEN2 770/4885APH1B 764/4885

“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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