SCHEMBL3674877

SCHEMBL3674877

COC(=O)CCc1ccc(S(=O)(=O)C(F)(F)F)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
PTPN1 P18031 4/20 0.45
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MITF O75030 1/20 0.37
S1PR4 O95977 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3688824 0.80 CCNC (0.56) CCNCCDK8PTPN1SLC6A2SLC6A4
SCHEMBL3685390 0.80 CCNC (0.58) CCNCCDK8PTPN1SLC6A2SLC6A4
SCHEMBL5620335 0.79 CYP1A2 (0.40) PTPN1ALDH1A1MMP1MMP9MMP13
SCHEMBL3681757 0.79 CCNC (0.57) CCNCCDK8PTPN1SLC6A2SLC6A4
SCHEMBL3680629 0.79 PTPN1 (0.57) CCNCCDK8PTPN1SLC6A2SLC6A4
SCHEMBL3686694 0.79 CCNC (0.57) CCNCCDK8PTPN1SLC6A2SLC6A4
SCHEMBL27679985 0.77 CCNC (0.52) CCNCCDK8PTPN1SLC6A2SLC6A4
SCHEMBL5348242 0.76 CYP1A2 (0.57) CCNCCDK8PTPN1SLC6A2SLC6A3
SCHEMBL3884496 0.76 FFAR4 (0.63) CCNCCDK8PTPN1SLC6A2SLC6A4
SCHEMBL3682520 0.76 CCNC (0.54) CCNCCDK8PTPN1SLC6A2SLC6A4

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.