SCHEMBL3682333

SCHEMBL3682333

CCOC(=O)CCc1cnc(S(=O)(=O)C(F)(F)F)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
GAA P10253 1/20 0.40
SYK P43405 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TLR9 Q9NR96 2/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
S1PR1 P21453 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK2 Q15119 2/20 0.38
EPHX2 P34913 1/20 0.38
JAK2 O60674 2/20 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
SCHEMBL3675482 0.85 CCNC (0.45) CCNCCDK8SYKLMNA
SCHEMBL3686684 0.85 CCNC (0.43) CCNCCDK8SYKHPGDHSD17B10
SCHEMBL3691264 0.85 CCNC (0.44) CCNCCDK8SYKHPGDHSD17B10
SCHEMBL3682341 0.82 CCNC (0.47) CCNCCDK8GAASYKJAK2
SCHEMBL28764339 0.79 CCNC (0.43) CCNCCDK8GAASYKSMN1; SMN2
SCHEMBL3681389 0.78 MAOB (0.48) CCNCCDK8SYKEPHX2
SCHEMBL5751152 0.77 CCNC (0.45) CCNCCDK8GAASYK
SCHEMBL3681908 0.75 CCNC (0.43) CCNCCDK8GAASYKADRB2
SCHEMBL3685341 0.74 CCNC (0.43) CCNCCDK8GAASYKADRB2
SCHEMBL3674877 0.73 CCNC (0.50) CCNCCDK8HPGDKMT2ANPSR1

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 4033/4885GAA 2785/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885GAA 2785/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885GAA 2785/4885

“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.