SCHEMBL18959445

SCHEMBL18959445

C[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(OCCCS(C)(=O)=O)cc5C(F)(F)F)ccc4F)ccc3[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.39
CD274 Q9NZQ7 1/20 0.33
EGFR P00533 1/20 0.30
ALKBH1 Q13686 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL18959427 0.90 FFAR1 (0.43) FFAR1CD274FFAR4
SCHEMBL16829648 0.90 FFAR1 (0.51) FFAR1CD274EGFRALKBH1FFAR4
SCHEMBL16855673 0.90 FFAR1 (0.51) FFAR1CD274EGFRALKBH1FFAR4
SCHEMBL16846007 0.90 FFAR1 (0.51) FFAR1CD274EGFRALKBH1FFAR4
SCHEMBL29423892 0.90 FFAR1 (0.51) FFAR1CD274EGFRALKBH1FFAR4
SCHEMBL29423955 0.88 FFAR1 (0.45) FFAR1CD274FFAR4
SCHEMBL18959443 0.87 FFAR1 (0.35) FFAR1CD274ALKBH1FFAR4
SCHEMBL18959460 0.86 FFAR1 (0.35) FFAR1CD274EGFRALKBH1
SCHEMBL22474644 0.86 FFAR1 (0.37) FFAR1
SCHEMBL18959406 0.84 FFAR1 (0.38) FFAR1CD274FFAR4

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 FFAR1 13/4885CD274 4582/4885EGFR 2017/4885

“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.