SCHEMBL3685170

SCHEMBL3685170

COC(=O)CCc1cc(NS(C)(=O)=O)c(OC2CCCC2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
ALDH1A1 P00352 2/20 0.38
MTNR1A P48039 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
SLC6A3 Q01959 3/20 0.36
PTPN1 P18031 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 4/20 0.36
ADRB1 P08588 2/20 0.36
PTGS2 P35354 2/20 0.35
CYP19A1 P11511 2/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3680094 0.92 FFAR4 (0.46) CCNCCDK8MTNR1AFFAR4THRA
SCHEMBL3687803 0.87 CCNC (0.46) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL27679989 0.85 CCNC (0.43) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3685485 0.84 CCNC (0.43) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3692228 0.84 CCNC (0.48) CCNCCDK8ALDH1A1MTNR1AFFAR4
SCHEMBL3891295 0.83 CCNC (0.47) CCNCCDK8ALDH1A1MTNR1AFFAR4
SCHEMBL3675582 0.83 CCNC (0.45) CCNCCDK8ALDH1A1MTNR1AFFAR4
SCHEMBL3681910 0.83 CCNC (0.42) CCNCCDK8ALDH1A1FFAR4MEN1
SCHEMBL3685321 0.82 FFAR4 (0.44) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3887748 0.82 CCNC (0.44) CCNCCDK8ALDH1A1MTNR1AFFAR4

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 4033/4885ALDH1A1 996/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885ALDH1A1 996/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885ALDH1A1 996/4885

“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.