SCHEMBL3686308

SCHEMBL3686308

CC(Cc1cc(N)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.41
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
LIPG Q9Y5X9 2/20 0.37
CYP11B2 P19099 1/20 0.37
CTSC P53634 1/20 0.36
USP7 Q93009 1/20 0.36
APP P05067 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
USP30 Q70CQ3 1/20 0.35
PDE1C Q14123 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL3882153 0.90 LIPG (0.41) ARCCNCCDK8LIPGCYP11B2
SCHEMBL3883907 0.87 THRA (0.44) ARCCNCCDK8CTSCUSP7
SCHEMBL3881782 0.86 THRA (0.46) ARCCNCCDK8CTSCUSP7
SCHEMBL3891660 0.86 APP (0.36) ARCCNCCDK8CTSCAPP
SCHEMBL3889305 0.85 APP (0.38) ARCCNCCDK8CTSCAPP
SCHEMBL3888362 0.85 ITGB1 (0.41) ARCCNCCDK8LIPGCYP11B2
SCHEMBL3897875 0.84 ITGB1 (0.42) ARCCNCCDK8LIPGCTSC
SCHEMBL3686310 0.84 AR (0.40) ARCCNCCDK8LIPGCYP11B2
SCHEMBL3884687 0.83 FFAR4 (0.36) APPFFAR4
SCHEMBL3883960 0.83 FFAR4 (0.39) APPFFAR4

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 4 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

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 AR 179/4885CCNC 3082/4885CDK8 4033/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AR 179/4885CCNC 3082/4885CDK8 4033/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AR 179/4885CCNC 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.