SCHEMBL3678003

SCHEMBL3678003

O=C(O)CCc1ccc(NCc2ccccc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.57
FFAR4 Q5NUL3 9/20 0.53
CYP1A2 P05177 1/20 0.49
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
AR P10275 1/20 0.45
GNA15 P30679 1/20 0.45
PTGER3 P43115 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3687545 0.89 CCNC (0.52) FFAR1FFAR4CYP1A2CCNCCDK8
SCHEMBL3683679 0.80 FFAR4 (0.60) FFAR1FFAR4CYP1A2CCNCCDK8
SCHEMBL3680372 0.79 FFAR4 (0.56) FFAR1FFAR4CYP1A2CCNCCDK8
SCHEMBL3682520 0.77 CCNC (0.54) FFAR1FFAR4CYP1A2CCNCCDK8
SCHEMBL3884456 0.76 FFAR1 (0.60) FFAR1FFAR4PTGER3
SCHEMBL8451511 0.76 FFAR1 (0.71) FFAR1FFAR4CYP1A2CCNCCDK8
SCHEMBL1217683 0.76 CYP1A2 (0.80) FFAR1FFAR4CYP1A2
SCHEMBL30403190 0.76 CYP1A2 (0.80) FFAR1FFAR4CYP1A2
SCHEMBL3683148 0.76 FFAR4 (0.61) FFAR1FFAR4CYP1A2CCNCCDK8
SCHEMBL3882947 0.76 FFAR4 (0.80) FFAR1FFAR4CYP1A2CCNCCDK8

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 35/4885CYP1A2 486/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR1 11/4885FFAR4 35/4885CYP1A2 486/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR1 11/4885FFAR4 35/4885CYP1A2 486/4885

“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.