SCHEMBL1004436

SCHEMBL1004436

COC(=O)c1ccc(C=CC(=O)OC(C)(C)C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A2 P23975 1/20 0.37
TBXAS1 P24557 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL1004806 1.00 GAA (0.42) GAAKDM4EGLALMNAHTT
SCHEMBL1004435 1.00 GAA (0.42) GAAKDM4EGLALMNAHTT
SCHEMBL12777524 0.85 LMNA (0.50) GAAKDM4EGLALMNAHTT
SCHEMBL13474953 0.85 LMNA (0.50) GAAKDM4EGLALMNAHTT
SCHEMBL4566358 0.80 KDM4E (0.47) GAAKDM4EGLALMNAHTT
SCHEMBL4566357 0.80 KDM4E (0.47) GAAKDM4EGLALMNAHTT
SCHEMBL1006832 0.73 ALDH1A1 (0.42) GAALMNAHTTNR1I2PGR
SCHEMBL1081773 0.73 ALDH1A1 (0.42) GAALMNAHTTNR1I2PGR
SCHEMBL1006833 0.73 ALDH1A1 (0.42) GAALMNAHTTNR1I2PGR
SCHEMBL1004764 0.73 GAA (0.53) GAAKDM4EGLALMNAKMT2A

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 6 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
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
EP-2074092-A2 INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-07-01 EP disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 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 (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 GAA 309/4885KDM4E 1859/4885GLA 748/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE GAA 309/4885KDM4E 1859/4885GLA 748/4885

“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.