SCHEMBL2715737

SCHEMBL2715737

CC(C)(C)[S@+]([O-])N=Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
PDE2A O00408 3/20 0.33
IDO1 P14902 1/20 0.32
GAA P10253 1/20 0.31
KIF11 P52732 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
SCHEMBL2715736 1.00 BACE1 (0.35) BACE1PDE2AIDO1GAAKIF11
SCHEMBL2715243 1.00 BACE1 (0.35) BACE1PDE2AIDO1GAAKIF11
SCHEMBL24036551 1.00 BACE1 (0.35) BACE1PDE2AIDO1GAAKIF11
SCHEMBL2715732 1.00 BACE1 (0.35) BACE1PDE2AIDO1GAAKIF11
SCHEMBL2714380 0.88 PDE2A (0.36) BACE1PDE2AIDO1GAAKIF11
SCHEMBL31136995 0.88 PDE2A (0.36) BACE1PDE2AIDO1GAAKIF11
SCHEMBL2714374 0.88 PDE2A (0.36) BACE1PDE2AIDO1GAAKIF11
SCHEMBL14831789 0.88 PDE2A (0.36) BACE1PDE2AIDO1GAAKIF11
SCHEMBL14831788 0.88 PDE2A (0.36) BACE1PDE2AIDO1GAAKIF11
SCHEMBL2714378 0.88 PDE2A (0.36) BACE1PDE2AIDO1GAAKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A BACE1 1991/4885PDE2A 447/4885IDO1 1074/4885

“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.