SCHEMBL16845976

SCHEMBL16845976

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.56
FFAR4 Q5NUL3 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
DGAT1 O75907 1/20 0.36
GNA15 P30679 1/20 0.35
SLC10A1 Q14973 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 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
SCHEMBL23952772 1.00 FFAR1 (0.56) FFAR1FFAR4CD274DGAT1GNA15
SCHEMBL19670781 1.00 FFAR1 (0.56) FFAR1FFAR4CD274DGAT1GNA15
SCHEMBL18963536 1.00 FFAR1 (0.56) FFAR1FFAR4CD274DGAT1GNA15
SCHEMBL15471467 0.93 FFAR1 (0.62) FFAR1FFAR4DGAT1CYP2C8CYP2C9
SCHEMBL15464467 0.93 FFAR1 (0.62) FFAR1FFAR4DGAT1CYP2C8CYP2C9
SCHEMBL16846007 0.91 FFAR1 (0.51) FFAR1FFAR4CD274
SCHEMBL16829648 0.91 FFAR1 (0.51) FFAR1FFAR4CD274
SCHEMBL29423892 0.91 FFAR1 (0.51) FFAR1FFAR4CD274
SCHEMBL16855673 0.91 FFAR1 (0.51) FFAR1FFAR4CD274
SCHEMBL18959427 0.89 FFAR1 (0.43) FFAR1FFAR4CD274DGAT1GNA15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed
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-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US 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
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
WO-2015095256-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089809-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 FFAR1 13/4885FFAR4 10/4885CD274 4582/4885

“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.