SCHEMBL1916702

SCHEMBL1916702

COc1ccc(-c2ccccc2-c2csc(N(C(=O)[C@@H](CC(=O)O)CC3CCOCC3)C3CC3)n2)cn1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.87
PIK3CA P42336 2/20 0.37
CTSA P10619 1/20 0.36
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
SLC12A5 Q9H2X9 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK3 Q9Y572 1/20 0.34
GCK P35557 1/20 0.34

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
SCHEMBL1916704 1.00 FFAR2 (0.87) FFAR2PIK3CACTSACPT2CPT1A
SCHEMBL16498182 0.95 FFAR2 (0.94) FFAR2CTSACPT2CPT1ASLC12A5
SCHEMBL16498179 0.95 FFAR2 (0.94) FFAR2CTSACPT2CPT1ASLC12A5
SCHEMBL1915829 0.93 FFAR2 (1.00) FFAR2CTSACPT2CPT1ASLC12A5
SCHEMBL16498342 0.93 FFAR2 (0.97) FFAR2CTSACPT2CPT1ASLC12A5
SCHEMBL16498339 0.93 FFAR2 (0.97) FFAR2CTSACPT2CPT1ASLC12A5
SCHEMBL1915824 0.93 FFAR2 (1.00) FFAR2CTSACPT2CPT1ASLC12A5
SCHEMBL1915491 0.93 FFAR2 (0.98) FFAR2CTSACPT2CPT1ASLC12A5
SCHEMBL1915492 0.93 FFAR2 (0.98) FFAR2CTSACPT2CPT1ASLC12A5
SCHEMBL1916315 0.92 FFAR2 (0.73) FFAR2PIK3CACTSARIPK3GCK

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 10 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
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO disclosed

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 295/4885PIK3CA 930/4885CTSA 1593/4885

“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.