SCHEMBL9921458

SCHEMBL9921458

COc1ccc(C)c(-c2cccc(COc3ccc4c(c3)C[C@H]3[C@H](C(=O)O)[C@@H]43)c2C)c1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 17/20 0.44
FFAR1 O14842 3/20 0.43
PDCD1 Q15116 2/20 0.40

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
SCHEMBL9921459 1.00 CD274 (0.44) CD274FFAR1PDCD1
SCHEMBL13222683 0.90 FFAR1 (0.53) CD274FFAR1
SCHEMBL3060932 0.90 FFAR1 (0.53) CD274FFAR1
SCHEMBL13243361 0.85 CD274 (0.41) CD274FFAR1PDCD1
SCHEMBL13243695 0.85 CD274 (0.41) CD274FFAR1PDCD1
SCHEMBL9921301 0.85 FFAR1 (0.45) CD274FFAR1
SCHEMBL9921261 0.85 FFAR1 (0.45) CD274FFAR1
SCHEMBL9921260 0.81 FFAR1 (0.48) CD274FFAR1
SCHEMBL9921258 0.79 FFAR1 (0.46) CD274FFAR1
SCHEMBL9921315 0.79 FFAR1 (0.46) CD274FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399507-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399507-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
EP-2215068-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
WO-2009058237-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2009-05-07 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-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 CD274 4625/4885FFAR1 19/4885PDCD1 4363/4885

“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.