SCHEMBL3682322

SCHEMBL3682322

COc1c(-c2ccc3ccccc3c2)cc(CCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 4/20 0.47
▸ CCNC P24863 2/20 0.45
▸ CDK8 P49336 2/20 0.45
▸ FBP1 P09467 2/20 0.43
▸ FFAR1 O14842 4/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL3682826 0.90 CCNC (0.51) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3885715 0.87 FFAR4 (0.43) FFAR4CCNCCDK8FBP1FFAR1
SCHEMBL3885022 0.86 FFAR1 (0.49) FFAR4CCNCCDK8FBP1FFAR1
SCHEMBL3885728 0.85 FFAR1 (0.48) FFAR4CCNCCDK8FFAR1CYP1A2
SCHEMBL3882264 0.85 THRA (0.51) FFAR4FFAR1
SCHEMBL3885654 0.85 FFAR4 (0.41) FFAR4CCNCCDK8FBP1FFAR1
SCHEMBL3882034 0.85 THRA (0.49) FFAR4CCNCCDK8FFAR1HDAC1
SCHEMBL3885405 0.84 FFAR1 (0.46) FFAR4CCNCCDK8FFAR1PTGES
SCHEMBL3896066 0.84 FFAR4 (0.48) FFAR4CCNCCDK8FFAR1CYP1A2
SCHEMBL3882586 0.83 FFAR4 (0.42) FFAR4CCNCCDK8FBP1FFAR1

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 11 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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 — — EP 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
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 — — US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 — — WO disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 — — EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 — — 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 (4 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 FFAR4 35/4885CCNC 3082/4885CDK8 4033/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 FFAR4 115/4885CCNC 2174/4885CDK8 3600/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR4 35/4885CCNC 3082/4885CDK8 4033/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR4 35/4885CCNC 3082/4885CDK8 4033/4885

“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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