SCHEMBL2398586

SCHEMBL2398586

CN(C(=O)[C@@H](CC(=O)O)CC1CCCC1)c1nc(-c2ccccc2-c2cnc3c(c2)CC(=O)N3C)c(F)s1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 9/20 0.48
NTRK1 P04629 3/20 0.31
USP19 O94966 2/20 0.31
USP1 O94782 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31

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
SCHEMBL2398591 1.00 FFAR2 (0.48) FFAR2NTRK1USP19USP1MMP2
SCHEMBL1915712 0.94 FFAR2 (0.49) FFAR2NTRK1USP1
SCHEMBL1915715 0.94 FFAR2 (0.49) FFAR2NTRK1USP1
SCHEMBL2402860 0.94 FFAR2 (0.47) FFAR2USP19MMP2MMP9MMP12
SCHEMBL2398794 0.94 FFAR2 (0.42) FFAR2
SCHEMBL2398789 0.94 FFAR2 (0.42) FFAR2
SCHEMBL2402855 0.94 FFAR2 (0.47) FFAR2USP19MMP2MMP9MMP12
SCHEMBL2400677 0.93 FFAR2 (0.44) FFAR2
SCHEMBL2400672 0.93 FFAR2 (0.44) FFAR2
SCHEMBL2398706 0.92 FFAR2 (0.51) FFAR2NTRK1USP19USP1

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
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP 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 295/4885NTRK1 4882/4885USP19 2831/4885

“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.