SCHEMBL1498348

SCHEMBL1498348

O=C1CCC(F)(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ HTR2A P28223 3/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ PTGS1 P23219 1/20 0.30

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
SCHEMBL12832267 0.85 RORC (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12688451 0.81 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27896524 0.81 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1498416 0.80 CA1 (0.47) —
SCHEMBL1498370 0.80 NPC1 (0.34) HTR2AHTR2CKCNH2DRD2NAMPT
Hydrochloric Acid SCHEMBL1498354 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12692914 0.80 CETP (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1498352 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1498438 0.78 TACR1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1498343 0.78 TACR1 (0.37) 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 6 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
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.

Send feedback