SCHEMBL16845952

SCHEMBL16845952

CCOC(=O)[C@H]1[C@@H]2Cc3cc(OCc4cc(B5OC(C)(C)C(C)(C)O5)ccc4F)ccc3[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.38
ROCK1 Q13464 1/20 0.36
SCN3A Q9NY46 3/20 0.34
HIF1A Q16665 5/20 0.34
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CACNA1C Q13936 1/20 0.31
KCNH2 Q12809 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL29423910 1.00 FFAR1 (0.38) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL29423898 1.00 FFAR1 (0.38) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL19669155 0.90 ROCK1 (0.38) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL18940276 0.90 FFAR1 (0.43) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL18940306 0.90 FFAR1 (0.43) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL23927778 0.90 FFAR1 (0.43) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL15465576 0.88 FFAR1 (0.49) FFAR1ROCK1HIF1ABACE1BACE2
SCHEMBL15471368 0.88 FFAR1 (0.49) FFAR1ROCK1HIF1ABACE1BACE2
SCHEMBL29423893 0.86 FFAR1 (0.41) FFAR1
SCHEMBL16846002 0.86 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 6 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-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
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 13/4885ROCK1 3440/4885SCN3A 2870/4885

“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.