SCHEMBL3681908

SCHEMBL3681908

CCOC(=O)CCc1cnc(O[C@H](C)c2ccccc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.43
CDK8 P49336 4/20 0.43
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
RORC P51449 4/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
SYK P43405 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RORB Q92753 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL27680012 0.89 FFAR1 (0.52) CCNCCDK8FFAR1PPARDRORC
SCHEMBL3677473 0.89 FFAR1 (0.52) CCNCCDK8FFAR1PPARDRORC
SCHEMBL5751152 0.84 CCNC (0.45) CCNCCDK8PPARGPPARDPPARA
SCHEMBL3687586 0.81 FFAR1 (0.43) FFAR1RORCPTPN1CYP2D6RORB
SCHEMBL3682341 0.81 CCNC (0.47) CCNCCDK8GAAPTPN1CYP2D6
SCHEMBL3685341 0.79 CCNC (0.43) CCNCCDK8GAACYP2D6SLC6A2
SCHEMBL28764339 0.78 CCNC (0.43) CCNCCDK8PPARGPPARDPPARA
SCHEMBL3681389 0.78 MAOB (0.48) CCNCCDK8FFAR1PPARGPPARD
SCHEMBL3682333 0.75 CCNC (0.42) CCNCCDK8GAAPTPN1CYP2D6
SCHEMBL3887610 0.72 CCNC (0.48) CCNCCDK8FFAR1GAAPTPN1

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 4033/4885FFAR1 11/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885FFAR1 11/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885FFAR1 11/4885

“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.