SCHEMBL1917466

SCHEMBL1917466

CN1C(=O)CCc2cc(-c3ccccc3-c3csc(N(C(=O)[C@@H](CC(=O)O)CC4CCCC4)C4CC4)n3)cnc21

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.68
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
SLC12A5 Q9H2X9 3/20 0.33
USP19 O94966 4/20 0.32
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL1917470 1.00 FFAR2 (0.68) FFAR2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL2047960 0.94 FFAR2 (0.60) FFAR2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL2047954 0.94 FFAR2 (0.60) FFAR2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL1916227 0.94 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1916231 0.94 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1916565 0.93 FFAR2 (0.58) FFAR2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL1916569 0.93 FFAR2 (0.58) FFAR2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL2400390 0.93 FFAR2 (0.58) FFAR2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL2400395 0.93 FFAR2 (0.58) FFAR2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL2401438 0.92 FFAR2 (0.61) FFAR2BMPR1BBMPR1AACVRL1ACVR1

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-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-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO 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 295/4885BMPR1B 2168/4885BMPR1A 3500/4885

“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.