SCHEMBL7940463

SCHEMBL7940463

NC(CCO)c1cc(F)c(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37

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
SCHEMBL1239524 0.83 CES2 (0.39) CES2CES1
SCHEMBL8511277 0.83 CES2 (0.39) CES2CES1
SCHEMBL7939350 0.81 CES2 (0.35) CES2CES1
SCHEMBL12498903 0.80 CES2 (0.40) CES2CES1
SCHEMBL20472544 0.80 CES2 (0.40) CES2CES1
SCHEMBL4530311 0.78 CES2 (0.32) CES2CES1
SCHEMBL15496335 0.76 S1PR1 (0.39)
SCHEMBL15511854 0.76 S1PR1 (0.39)
SCHEMBL22699201 0.76 DPP4 (0.36)
SCHEMBL2706399 0.76 CES2 (0.40) CES2CES1

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
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
WO-2010056722-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-05-20 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-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CES2 1283/4885CES1 357/4885

“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.