SCHEMBL10009995

SCHEMBL10009995

CCc1nc2c(OCC(F)(F)F)cccc2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)OC[C@H]2CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.39
PPARD Q03181 11/20 0.38
PPARG P37231 10/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL1708126 0.93 FFAR1 (0.33) FFAR1PPARDPPARGPTGDR2
SCHEMBL1708128 0.88 GUCY1A1 (0.32)
SCHEMBL10009835 0.88 FFAR1 (0.45) FFAR1PPARDPPARG
SCHEMBL1707941 0.84 PPARG (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL1708167 0.84 PPARG (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL1708666 0.83 FFAR1 (0.37) FFAR1PPARDPPARGPPARA
SCHEMBL10012729 0.83 FFAR1 (0.38) FFAR1PPARDPPARGPTGDR2PPARA
SCHEMBL1708672 0.83 FFAR1 (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL1708660 0.83 FFAR1 (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL10009650 0.82 FFAR1 (0.42) FFAR1PPARDPPARGPPARA

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 2 patents. 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
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 20/4885PPARD 133/4885PPARG 155/4885

“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.