SCHEMBL2052993

SCHEMBL2052993

CN(C(=O)[C@@H](CC(=O)O)CC1CCCC1)c1nc(-c2cc(F)ccc2-c2cnc3c(ccn3C)c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.56
CAPN1 P07384 1/20 0.35
GRM1 Q13255 5/20 0.33
GRM5 P41594 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2398790 1.00 FFAR2 (0.56) FFAR2CAPN1GRM1GRM5MEN1
SCHEMBL1916673 0.94 FFAR2 (0.58) FFAR2CAPN1GRM1GRM5MEN1
SCHEMBL1916679 0.94 FFAR2 (0.58) FFAR2CAPN1GRM1GRM5MEN1
SCHEMBL1917139 0.93 FFAR2 (0.60) FFAR2GRM1PIK3CAMTORNPC1
SCHEMBL1917134 0.93 FFAR2 (0.60) FFAR2GRM1PIK3CAMTORNPC1
SCHEMBL2051200 0.92 FFAR2 (0.65) FFAR2GRM1KMT2APIK3CAMTOR
SCHEMBL2051198 0.92 FFAR2 (0.65) FFAR2GRM1KMT2APIK3CAMTOR
SCHEMBL2398184 0.92 FFAR2 (0.60) FFAR2PIK3CAMTOR
SCHEMBL2398198 0.92 FFAR2 (0.60) FFAR2PIK3CAMTOR
SCHEMBL2400079 0.91 FFAR2 (0.53) FFAR2MEN1MAPTKMT2APIK3CA

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC FFAR2 295/4885CAPN1 4013/4885GRM1 2773/4885

“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.