SCHEMBL3683508

SCHEMBL3683508

COC(=O)CCc1ccc(N(C)Cc2ccccc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
PTPN1 P18031 4/20 0.45
FFAR4 Q5NUL3 2/20 0.43
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 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
SCHEMBL3687224 0.85 CCNC (0.52) CCNCCDK8PTPN1FFAR4SLC6A2
SCHEMBL3680629 0.81 PTPN1 (0.57) CCNCCDK8PTPN1FFAR4SLC6A2
SCHEMBL3682280 0.81 CCNC (0.56) CCNCCDK8PTPN1FFAR4SLC6A2
SCHEMBL3685390 0.80 CCNC (0.58) CCNCCDK8PTPN1FFAR4SLC6A2
SCHEMBL3681757 0.79 CCNC (0.57) CCNCCDK8PTPN1FFAR4SLC6A2
SCHEMBL3686694 0.79 CCNC (0.57) CCNCCDK8PTPN1FFAR4SLC6A2
SCHEMBL3687545 0.79 CCNC (0.52) CCNCCDK8PTPN1FFAR4SLC6A2
SCHEMBL3887117 0.79 CCNC (0.52) CCNCCDK8PTPN1FFAR4
SCHEMBL3884496 0.78 FFAR4 (0.63) CCNCCDK8PTPN1FFAR4SLC6A2
SCHEMBL3688824 0.78 CCNC (0.56) CCNCCDK8PTPN1FFAR4SLC6A2

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 CCNC 3082/4885CDK8 4033/4885PTPN1 2275/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885PTPN1 2275/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885PTPN1 2275/4885

“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.