SCHEMBL15465404

SCHEMBL15465404

Cc1nc(OCCCS(C)(=O)=O)ccc1-c1ccc(F)c(COc2cc3c(cn2)[C@H]2[C@@H](C3)[C@@H]2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.58
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
EGFR P00533 1/20 0.31
ITK Q08881 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
ATM Q13315 1/20 0.31
DGAT1 O75907 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
SCHEMBL16845955 0.91 FFAR1 (0.49) FFAR1PPARDPPARAFFAR4
SCHEMBL15471467 0.90 FFAR1 (0.62) FFAR1CYP2C8CYP2C9FFAR4DGAT1
SCHEMBL15464467 0.90 FFAR1 (0.62) FFAR1CYP2C8CYP2C9FFAR4DGAT1
SCHEMBL15464731 0.89 FFAR1 (0.47) FFAR1CYP2C8CYP2C9FFAR4
SCHEMBL15471476 0.89 FFAR1 (0.65) FFAR1CYP2C8CYP2C9PPARDPPARA
SCHEMBL15465093 0.89 FFAR1 (0.57) FFAR1PPARDPPARAATMDGAT1
SCHEMBL15464275 0.88 FFAR1 (0.58) FFAR1CYP2C8CYP2C9PPARDPPARA
SCHEMBL15464632 0.88 FFAR1 (0.58) FFAR1CYP2C8CYP2C9PPARDPPARA
SCHEMBL15471477 0.87 FFAR1 (0.62) FFAR1CYP2C8CYP2C9PPARDPPARA
SCHEMBL22474739 0.87 FFAR1 (0.56) FFAR1CYP2C8CYP2C9FFAR4DGAT1

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-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 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 (2 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-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 FFAR1 19/4885CYP2C8 1165/4885CYP2C9 2653/4885
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 FFAR1 19/4885CYP2C8 1165/4885CYP2C9 2653/4885

“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.