SCHEMBL10319690

SCHEMBL10319690

O=C(O)C(O)c1ccc(OCCF)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ TSPO P30536 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL15135167 0.85 AKR1C3 (0.49) FFAR1FFAR4ALDH1A1PTGS1PTGS2
SCHEMBL10352297 0.83 FFAR1 (0.43) FFAR1FFAR4ALDH1A1MMP13TSPO
SCHEMBL16218955 0.80 ADRA2A (0.46) ALDH1A1CA12CA1CA9
SCHEMBL10318257 0.78 PTGS2 (0.46) PTGS1PTGS2CES2CES1
SCHEMBL10318321 0.78 PTGS2 (0.46) PTGS1PTGS2CES2CES1
SCHEMBL16216193 0.78 PDE2A (0.51) FFAR1FFAR4ALDH1A1CA12CA1
SCHEMBL10351481 0.73 MAPK1 (0.42) FFAR1FFAR4ALDH1A1PPARDMRGPRX4
SCHEMBL1671155 0.72 CES2 (0.66) ALDH1A1CES2CES1
SCHEMBL29658750 0.72 CES2 (0.66) ALDH1A1CES2CES1
SCHEMBL1671151 0.72 CES2 (0.66) ALDH1A1CES2CES1

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
EP-2481725-B1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-03-04 — — EP disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 — — US disclosed
EP-2481725-A1 SUBSTITUTED AMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-08-01 — — EP disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — 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-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 FFAR1 113/4885FFAR4 328/4885ALDH1A1 3512/4885

“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.

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