SCHEMBL1007331

SCHEMBL1007331

Cc1ccc(C2CCc3[nH]c(C(=O)O)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADCY5 O95622 1/20 0.36
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
CDK8 P49336 1/20 0.35
CDK9 P50750 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ALPL P05186 1/20 0.35
KDM1A O60341 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 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
SCHEMBL1004670 0.87 TPMT (0.37) PIN1PDGFRAPRKACAKDRCDK8
SCHEMBL2075617 0.86 F7 (0.40) KDM4EHPGDPDGFRAPRKACAKDR
SCHEMBL1005518 0.85 TP53 (0.40) ADCY5ALPLMAPTMEN1KMT2A
SCHEMBL1003507 0.85 PDGFRA (0.40) PIN1KDM4EHPGDHSD17B10PDGFRA
SCHEMBL1003069 0.82 PDGFRA (0.38) KDM4EHPGDHSD17B10PDGFRAPRKACA
SCHEMBL1004349 0.81 HCAR2 (0.37) KDM1ASMN1; SMN2ALOX15NFKB1BLM
SCHEMBL1004511 0.79 NFKB1 (0.38) KDM4EHPGDHSD17B10PDGFRAPRKACA
SCHEMBL2077036 0.79 PIN1 (0.41) PIN1KDM4EHPGDUSP2HSD17B10
SCHEMBL2075976 0.77 MEN1 (0.39) KDM4EHPGDPDGFRAPRKACAKDR
SCHEMBL1005502 0.77 TP53 (0.39) KDM4EHPGDPDGFRAPRKACAKDR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PIN1 1823/4885KDM4E 1859/4885HPGD 624/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PIN1 1823/4885KDM4E 1859/4885HPGD 624/4885

“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.