SCHEMBL1003642

SCHEMBL1003642

COC(=O)c1cc2c(n1C(=O)OC(C)(C)C)CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.41
BUB1 O43683 1/20 0.40
GPR119 Q8TDV5 4/20 0.37
ALDH1A1 P00352 2/20 0.36
ELANE P08246 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31

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
SCHEMBL1004591 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EGABRG2GABRB3
SCHEMBL30990201 0.80 NR1H2 (0.41) NR1H2BUB1GPR119ELANEHDAC1
SCHEMBL30990225 0.80 NR1H2 (0.41) NR1H2BUB1GPR119ELANEHDAC1
SCHEMBL1004859 0.79 NR1H2 (0.40) NR1H2BUB1ALDH1A1ELANEHDAC1
SCHEMBL3445222 0.74 BUB1 (0.40) BUB1GPR119ALDH1A1ELANEPIM1
SCHEMBL7977206 0.73 NR1H2 (0.55) NR1H2ALDH1A1HDAC1HDAC6KDM4E
SCHEMBL1056066 0.71 KLK7 (0.39) NR1H2HDAC1HDAC6
SCHEMBL16115882 0.69 NR1H2 (0.40) NR1H2GPR119ALDH1A1HDAC1HDAC6
SCHEMBL18537881 0.69 NR1H2 (0.53) NR1H2
SCHEMBL30853473 0.68 ALDH1A1 (0.49) NR1H2ALDH1A1KDM4E

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 NR1H2 4228/4885BUB1 2761/4885GPR119 2628/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE NR1H2 4228/4885BUB1 2761/4885GPR119 2628/4885

“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.