SCHEMBL10008963

SCHEMBL10008963

Cc1ccc(Nc2cccc3c2OCC3N(C(=O)C(F)(F)F)c2ccc3c(c2)OC[C@H]3CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
NPC1 O15118 1/20 0.34
KCNMA1 Q12791 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10008962 1.00 FFAR1 (0.38) FFAR1PPARGPPARDNPC1KCNMA1
SCHEMBL1707830 0.93 FFAR1 (0.34) FFAR1PPARGPPARDNPC1KCNMA1
SCHEMBL10009325 0.90 PPARG (0.36) FFAR1PPARGPPARD
SCHEMBL10009327 0.90 PPARG (0.36) FFAR1PPARGPPARD
SCHEMBL10011798 0.89 FFAR1 (0.40) FFAR1PPARGPPARD
SCHEMBL10010677 0.88 PPARG (0.35) FFAR1PPARGPPARD
SCHEMBL10010671 0.88 PPARG (0.35) FFAR1PPARGPPARD
SCHEMBL10011668 0.88 PPARG (0.35) FFAR1PPARGPPARD
SCHEMBL10011672 0.88 PPARG (0.35) FFAR1PPARGPPARD
SCHEMBL10009839 0.88 AKR1C3 (0.41) FFAR1PPARGPPARD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R FFAR1 20/4885PPARG 155/4885PPARD 133/4885

“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.