SCHEMBL1916111

SCHEMBL1916111

CN(C(=O)C(CC(=O)O)CC1CCOCC1)c1nc(-c2cc(F)ccc2-c2cnc3c(c2)CCC(=O)N3C)cs1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.55
CAPN1 P07384 1/20 0.34
CCNK O75909 1/20 0.34
CDK9 P50750 1/20 0.34
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
ENPP2 Q13822 1/20 0.32
GCK P35557 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 2/20 0.31
GRM1 Q13255 2/20 0.31
CYP11B2 P19099 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
SCHEMBL1916106 1.00 FFAR2 (0.55) FFAR2CAPN1CCNKCDK9BMPR1B
SCHEMBL1916549 0.94 FFAR2 (0.56) FFAR2CAPN1CCNKCDK9ENPP2
SCHEMBL1916552 0.94 FFAR2 (0.56) FFAR2CAPN1CCNKCDK9ENPP2
SCHEMBL2400404 0.94 FFAR2 (0.54) FFAR2CAPN1BMPR1BBMPR1AACVRL1
SCHEMBL2400398 0.94 FFAR2 (0.54) FFAR2CAPN1BMPR1BBMPR1AACVRL1
SCHEMBL1916079 0.94 FFAR2 (0.59) FFAR2CCNKCDK9BMPR1BBMPR1A
SCHEMBL1916076 0.94 FFAR2 (0.59) FFAR2CCNKCDK9BMPR1BBMPR1A
SCHEMBL2052728 0.93 FFAR2 (0.63) FFAR2CCNKCDK9BMPR1BBMPR1A
SCHEMBL2052727 0.93 FFAR2 (0.63) FFAR2CCNKCDK9BMPR1BBMPR1A
SCHEMBL2400249 0.92 FFAR2 (0.51) FFAR2CCNKCDK9BMPR1BBMPR1A

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
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

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 295/4885CAPN1 4013/4885CCNK 3970/4885

“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.