SCHEMBL2051200

SCHEMBL2051200

CN(C(=O)C(CC(=O)O)CC1CCCC1)c1nc(-c2ccccc2-c2cnc3c(ccn3C)c2)cs1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.65
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
UCHL1 P09936 3/20 0.34
USP30 Q70CQ3 3/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
GRM1 Q13255 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 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
SCHEMBL2051198 1.00 FFAR2 (0.65) FFAR2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2047120 0.94 FFAR2 (0.66) FFAR2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2047116 0.94 FFAR2 (0.66) FFAR2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2398790 0.92 FFAR2 (0.56) FFAR2NPC1RAB9APIK3CAMTOR
SCHEMBL1917134 0.92 FFAR2 (0.60) FFAR2NPC1RAB9AUCHL1USP30
SCHEMBL2052993 0.92 FFAR2 (0.56) FFAR2NPC1RAB9APIK3CAMTOR
SCHEMBL1917139 0.92 FFAR2 (0.60) FFAR2NPC1RAB9AUCHL1USP30
SCHEMBL2051654 0.91 FFAR2 (0.71) FFAR2PIK3CAMTORMMP2MMP9
SCHEMBL2399185 0.91 FFAR2 (0.71) FFAR2PIK3CAMTORMMP2MMP9
SCHEMBL2400079 0.89 FFAR2 (0.53) FFAR2SMN1; SMN2PIK3CAMTORKMT2A

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 4 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
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP 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 295/4885NPC1 28/4885RAB9A 1681/4885

“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.