SCHEMBL1708103

SCHEMBL1708103

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-c4c(C)nn(C(F)F)c4C)c3C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.39
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL1708294 0.93 FFAR1 (0.45) FFAR1PPARGPPARD
SCHEMBL3792934 0.90 FFAR1 (0.38) FFAR1
SCHEMBL1708296 0.86 CD274 (0.34) FFAR1PDCD1CD274
SCHEMBL10291778 0.84 FFAR1 (0.39) FFAR1PPARDPDCD1CD274
SCHEMBL1708681 0.83 FFAR1 (0.40) FFAR1PPARGPPARD
SCHEMBL3794466 0.82 FFAR1 (0.44) FFAR1PPARGPPARD
SCHEMBL1708101 0.79 RORC (0.33) PDCD1CD274
SCHEMBL10291219 0.78 FFAR1 (0.40) FFAR1PPARGPPARDPDCD1CD274
SCHEMBL10292309 0.78 FFAR1 (0.44) FFAR1PPARGPPARD
SCHEMBL10291385 0.78 FFAR1 (0.35) FFAR1

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 4 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
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-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.