SCHEMBL1014690

SCHEMBL1014690

CC(C)Cn1ccc(C(=O)O)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.47
ACACB O00763 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.43
DPP4 P27487 2/20 0.39
PSMB5 P28074 2/20 0.39
POLB P06746 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PSMB1 P20618 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
SCHEMBL29168986 0.87 HTR2C (0.41) B3GNT2KMT2A
SCHEMBL29168988 0.87 HTR2C (0.41) B3GNT2KMT2A
SCHEMBL2590109 0.84 B3GNT2 (0.37) B3GNT2ACACBKDM4EKMT2APOLB
SCHEMBL1015082 0.83 ALDH1A1 (0.46) ACACBKDM4EPOLBKDM5AKDM4C
SCHEMBL13522485 0.81 B3GNT2 (0.35) B3GNT2ACACBKDM4EKMT2APSMB5
SCHEMBL4246332 0.81 POLB (0.47) ACACBKDM4EKMT2APOLBKDM5A
SCHEMBL13522478 0.78 POLB (0.44) ACACBKDM4EKMT2APOLBKDM5A
SCHEMBL13522489 0.77 KDM5A (0.39) KDM5AKDM4CKDM5B
SCHEMBL5066699 0.76 KDM4E (0.51) B3GNT2KDM4EGRIN2DGRIN2AGRIN2B
SCHEMBL8553607 0.76 B3GNT2 (0.50) B3GNT2KDM4EPOLBGRIN2DGRIN2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 EP disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
WO-2010000401-A1 USE OF SUBSTITUTED PYRIDINONE CARBOXYLIC ACID DERIVATES FOR PRODUCING PHARMACEUTICALS FOR THE TREATMENT OF DYSLIPIDEMIA SANOFI-AVENTIS (FR) 2010-01-07 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP 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 (2 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 B3GNT2 2267/4885ACACB 429/4885KDM4E 4128/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 B3GNT2 3218/4885ACACB 3127/4885KDM4E 4796/4885

“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.