SCHEMBL262345

SCHEMBL262345

CC(C(=O)O)C(=O)[C@H](C)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.47
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CCR4 P51679 1/20 0.43
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL2185845 0.91 FFAR2 (0.51) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL262464 0.91 FFAR2 (0.51) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL1820481 0.91 FFAR2 (0.51) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL27818106 0.90 FFAR2 (0.50) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL2185593 0.90 FFAR2 (0.50) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL262169 0.88 FFAR2 (0.51) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL2303876 0.88 FFAR2 (0.51) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL2303870 0.88 FFAR2 (0.51) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL2183898 0.85 FFAR2 (0.49) FFAR2GAANPC1ALDH1A1MAPT
SCHEMBL15402199 0.85 FFAR2 (0.49) FFAR2GAANPC1ALDH1A1MAPT

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
CN-101827841-B (R)-4-(heteroaryl) phenylethyl derivatives and pharmaceutical compositions containing them DOMPE SPA 2012-11-28 CN disclosed
US-8133911-B2 (R)-4-(heteroaryl) phenylethyl derivatives and pharmaceutical compositions containing them DOMPE S.P.A (IT) 2012-03-13 US disclosed
EP-2201006-B1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2011-03-09 EP disclosed
US-20100249198-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A (IT) 2010-09-30 US disclosed
CN-101827841-A (R)-4-(heteroaryl) styroyl derivative and pharmaceutical composition thereof DOMPE SPA 2010-09-08 CN 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-20100249198-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C3AR1, C5AR2, C5AR1 FFAR2 631/4885GAA 4381/4885NPC1 2924/4885

“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.