SCHEMBL10011784

SCHEMBL10011784

O=C(O)C[C@@H]1COc2cc(N(C(=O)C(F)(F)F)[C@@H]3COc4c(Nc5c([N+](=O)[O-])ccc(F)c5F)cccc43)ccc21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.35
PPARD Q03181 5/20 0.35
FFAR1 O14842 17/20 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
SCHEMBL10011787 1.00 PPARG (0.35) PPARGPPARDFFAR1
SCHEMBL10009327 0.90 PPARG (0.36) PPARGPPARDFFAR1
SCHEMBL10009325 0.90 PPARG (0.36) PPARGPPARDFFAR1
SCHEMBL10010671 0.90 PPARG (0.35) PPARGPPARDFFAR1
SCHEMBL10011672 0.90 PPARG (0.35) PPARGPPARDFFAR1
SCHEMBL10011668 0.90 PPARG (0.35) PPARGPPARDFFAR1
SCHEMBL10010677 0.90 PPARG (0.35) PPARGPPARDFFAR1
SCHEMBL10008481 0.89 PPARG (0.36) PPARGPPARDFFAR1
SCHEMBL1707802 0.86
SCHEMBL10009839 0.86 AKR1C3 (0.41) PPARGPPARDFFAR1

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 PPARG 155/4885PPARD 133/4885FFAR1 20/4885

“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.