SCHEMBL562643

SCHEMBL562643

Cc1nc(OCCO[Si](C)(C)C(C)(C)C)nc(C)c1-c1cccc(COc2ccc3c(c2)CC2(CC2)C3C(C)C(=O)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.36
CD274 Q9NZQ7 16/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PDCD1 Q15116 2/20 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
SCHEMBL562609 0.89 CD274 (0.41) FFAR1CD274PDCD1
SCHEMBL562587 0.88 PDCD1 (0.30) CD274PDCD1
SCHEMBL10203804 0.85 CD274 (0.36) FFAR1CD274PDCD1
SCHEMBL10203806 0.78 CD274 (0.35) FFAR1CD274PDCD1
SCHEMBL563281 0.77 FFAR1 (0.39) FFAR1CD274PPARGPPARA
SCHEMBL562002 0.77 CD274 (0.45) FFAR1CD274PDCD1
SCHEMBL562586 0.76 FFAR1 (0.33) FFAR1CD274PDCD1
SCHEMBL699591 0.75 CD274 (0.36) FFAR1CD274
SCHEMBL10203910 0.75 CD274 (0.37) FFAR1CD274PDCD1
SCHEMBL13084433 0.75 FFAR1 (0.34) FFAR1CD274

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
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 FFAR1 23/4885CD274 3683/4885PPARG 80/4885

“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.