SCHEMBL16637065

SCHEMBL16637065

CC(C)(O)CCOc1ccc(-c2cc(COc3cc4c(cn3)[C@H]3[C@@H](C4)[C@@H]3C(=O)O)c(F)cc2C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.54
FFAR4 Q5NUL3 9/20 0.36
S1PR1 P21453 1/20 0.32
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL17925140 1.00 FFAR1 (0.54) FFAR1FFAR4S1PR1CYP2C8CYP2C9
SCHEMBL16637494 0.93 FFAR1 (0.53) FFAR1FFAR4S1PR1
SCHEMBL16647657 0.92 FFAR1 (0.50) FFAR1FFAR4S1PR1CYP2C8CYP2C9
SCHEMBL16637187 0.92 FFAR1 (0.48) FFAR1FFAR4CYP2C8CYP2C9
SCHEMBL16647652 0.91 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL17930521 0.91 FFAR1 (0.59) FFAR1FFAR4CYP2C8CYP2C9
SCHEMBL16637224 0.91 FFAR1 (0.54) FFAR1CYP2C8CYP2C9
SCHEMBL17925138 0.91 FFAR1 (0.54) FFAR1CYP2C8CYP2C9
SCHEMBL16647617 0.90 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
SCHEMBL15471396 0.90 FFAR1 (0.58) FFAR1FFAR4CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP claimed
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
EP-3055288-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 FFAR1 23/4885FFAR4 16/4885S1PR1 1151/4885

“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.