SCHEMBL3684473

SCHEMBL3684473

O=C(O)CCc1cnc(OCc2ccc(C(F)(F)F)cc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.52
FFAR4 Q5NUL3 7/20 0.52
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
S1PR1 P21453 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL3681389 0.88 MAOB (0.48) FFAR1FFAR4CCNCCDK8PPARG
SCHEMBL3881786 0.83 FFAR1 (0.52) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL5752324 0.81 CCNC (0.54) FFAR1FFAR4CCNCCDK8
SCHEMBL3882277 0.80 FFAR4 (0.49) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL3882929 0.79 FFAR4 (0.48) FFAR1FFAR4CCNCCDK8PPARG
SCHEMBL3680505 0.77 CCNC (0.49) FFAR4CCNCCDK8THRATHRB
SCHEMBL3881930 0.76 FFAR1 (0.52) FFAR1FFAR4CCNCCDK8PPARG
SCHEMBL3677473 0.75 FFAR1 (0.52) FFAR1FFAR4CCNCCDK8PPARD
SCHEMBL27680012 0.75 FFAR1 (0.52) FFAR1FFAR4CCNCCDK8PPARD
SCHEMBL3884456 0.75 FFAR1 (0.60) FFAR1FFAR4THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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 (3 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR1 11/4885FFAR4 35/4885CCNC 3082/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR1 11/4885FFAR4 35/4885CCNC 3082/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR1 11/4885FFAR4 35/4885CCNC 3082/4885

“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.