SCHEMBL18940304

SCHEMBL18940304

Cc1ccc(COc2ccc3c(c2)CC2C(C(=O)O)C32)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.43
PDGFRA P16234 1/20 0.35
S1PR1 P21453 1/20 0.35
ROCK1 Q13464 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL18940305 0.85 FFAR1 (0.44) FFAR1
SCHEMBL18940280 0.85 FFAR1 (0.44) FFAR1
SCHEMBL18940289 0.81 FFAR1 (0.48) FFAR1PDGFRAS1PR1ROCK1S1PR5
SCHEMBL18940277 0.81 FFAR1 (0.42) FFAR1S1PR1S1PR5
SCHEMBL23927778 0.78 FFAR1 (0.43) FFAR1ROCK1
SCHEMBL18940306 0.78 FFAR1 (0.43) FFAR1ROCK1
SCHEMBL18940276 0.78 FFAR1 (0.43) FFAR1ROCK1
SCHEMBL16846002 0.77 FFAR1 (0.41) FFAR1
SCHEMBL29423893 0.77 FFAR1 (0.41) FFAR1
SCHEMBL29423919 0.77 FFAR1 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 FFAR1 13/4885PDGFRA 636/4885S1PR1 806/4885

“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.