SCHEMBL1916714

SCHEMBL1916714

COCc1ccc(-c2ccccc2-c2csc(N(C(=O)[C@@H](CC(=O)O)CC3CCCC3)C3CC3)n2)cn1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.81
SLC12A5 Q9H2X9 5/20 0.37
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL1916720 1.00 FFAR2 (0.81) FFAR2SLC12A5CYP1A2MEN1ALDH1A1
SCHEMBL1915824 0.89 FFAR2 (1.00) FFAR2SLC12A5MEN1ALDH1A1KMT2A
SCHEMBL1915829 0.89 FFAR2 (1.00) FFAR2SLC12A5MEN1ALDH1A1KMT2A
SCHEMBL1915492 0.89 FFAR2 (0.98) FFAR2SLC12A5MEN1ALDH1A1KMT2A
SCHEMBL1915491 0.89 FFAR2 (0.98) FFAR2SLC12A5MEN1ALDH1A1KMT2A
SCHEMBL1914991 0.89 FFAR2 (0.79) FFAR2SLC12A5CYP1A2MMP2MMP9
SCHEMBL1914986 0.89 FFAR2 (0.79) FFAR2SLC12A5CYP1A2MMP2MMP9
SCHEMBL16498042 0.88 FFAR2 (0.86) FFAR2SLC12A5MEN1ALDH1A1KMT2A
SCHEMBL16498045 0.88 FFAR2 (0.86) FFAR2SLC12A5MEN1ALDH1A1KMT2A
SCHEMBL16498339 0.88 FFAR2 (0.97) FFAR2SLC12A5MEN1ALDH1A1KMT2A

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 295/4885SLC12A5 715/4885CYP1A2 180/4885

“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.