SCHEMBL3501873

SCHEMBL3501873

CCOC(=O)CCc1ccc(OCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.40
FFAR4 Q5NUL3 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.36
AVPR2 P30518 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RXRG P48443 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL13312589 0.88 FFAR1 (0.38) FFAR1FFAR4ALDH1A1GAAPKM
SCHEMBL13311844 0.86 ALDH1A1 (0.38) ALDH1A1GAAPKMAVPR2RXRG
SCHEMBL13312807 0.85 FFAR1 (0.39) FFAR1FFAR4ALDH1A1GAAPKM
SCHEMBL13312592 0.84 NOTUM (0.39) FFAR1FFAR4ALDH1A1GAAPKM
SCHEMBL13312050 0.83 ALDH1A1 (0.35) ALDH1A1GAAPKMAVPR2RXRG
SCHEMBL13312663 0.83 FFAR1 (0.46) FFAR1FFAR4ALDH1A1GAAPKM
SCHEMBL13312716 0.82 FFAR1 (0.42) FFAR1FFAR4ALDH1A1GAAMRGPRX4
SCHEMBL13312664 0.81 FFAR1 (0.48) FFAR1FFAR4ALDH1A1GAAMRGPRX4
SCHEMBL13312665 0.80 FFAR1 (0.49) FFAR1FFAR4ALDH1A1GAAMRGPRX4
SCHEMBL13312072 0.77 RXRG (0.46) FFAR1FFAR4RXRGRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 FFAR1 14/4885FFAR4 15/4885ALDH1A1 1850/4885

“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.