SCHEMBL18959417

SCHEMBL18959417

Cc1cc(NCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.38
TDO2 P48775 2/20 0.36
FFAR1 O14842 10/20 0.36
FFAR4 Q5NUL3 3/20 0.35
SCN3A Q9NY46 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL18940308 0.90 FFAR1 (0.47) CD274TDO2FFAR1FFAR4
SCHEMBL16845958 0.90 FFAR1 (0.47) CD274TDO2FFAR1FFAR4
SCHEMBL18959423 0.90 CD274 (0.38) CD274TDO2FFAR1FFAR4SCN3A
SCHEMBL23952786 0.89 TDO2 (0.38) CD274TDO2FFAR1FFAR4SCN3A
SCHEMBL18959427 0.87 FFAR1 (0.43) CD274FFAR1FFAR4
SCHEMBL18959428 0.87 FFAR1 (0.46) CD274FFAR1FFAR4
SCHEMBL18959416 0.85 CD274 (0.48) CD274FFAR1
SCHEMBL18959406 0.81 FFAR1 (0.38) CD274FFAR1FFAR4
SCHEMBL15471341 0.80 FFAR1 (0.48) FFAR1FFAR4ALOX5APFEN1
SCHEMBL18940303 0.80 FFAR1 (0.44) CD274TDO2FFAR1FFAR4

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
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 CD274 4582/4885TDO2 3275/4885FFAR1 13/4885

“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.