SCHEMBL3689625

SCHEMBL3689625

O=C(O)CCc1ccc(-n2ccnc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.52
CDK8 P49336 2/20 0.52
FFAR4 Q5NUL3 5/20 0.48
TBXAS1 P24557 5/20 0.45
CYP1A2 P05177 1/20 0.44
FFAR1 O14842 2/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP2C9 P11712 1/20 0.39
ADH5 P11766 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3683659 0.86 CCNC (0.44) CCNCCDK8TBXAS1CYP11B1CYP11B2
SCHEMBL3678455 0.77 CCNC (0.52) CCNCCDK8TBXAS1CYP1A2CYP11B1
SCHEMBL3678452 0.77 CCNC (0.52) CCNCCDK8TBXAS1CYP1A2CYP11B1
SCHEMBL3683679 0.75 FFAR4 (0.60) CCNCCDK8FFAR4CYP1A2FFAR1
SCHEMBL3680372 0.72 FFAR4 (0.56) CCNCCDK8FFAR4CYP1A2FFAR1
SCHEMBL8451511 0.72 FFAR1 (0.71) CCNCCDK8FFAR4CYP1A2FFAR1
SCHEMBL5748903 0.72 CCNC (0.51) CCNCCDK8FFAR4CYP1A2FFAR1
SCHEMBL1217683 0.71 CYP1A2 (0.80) FFAR4CYP1A2FFAR1CYP2C19
SCHEMBL30403190 0.71 CYP1A2 (0.80) FFAR4CYP1A2FFAR1CYP2C19
SCHEMBL3882947 0.71 FFAR4 (0.80) CCNCCDK8FFAR4CYP1A2FFAR1

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-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

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 CCNC 3082/4885CDK8 4033/4885FFAR4 35/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885FFAR4 35/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885FFAR4 35/4885

“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.