SCHEMBL1004923

SCHEMBL1004923

COC(=O)c1cc2c([nH]1)CCC2=Cc1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
EGFR P00533 1/20 0.34
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NR4A2 P43354 1/20 0.32
CCR5 P51681 2/20 0.32
DHODH Q02127 1/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NR1H4 Q96RI1 5/20 0.32
DHFR P00374 1/20 0.32
HDAC2 Q92769 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL1004921 1.00 PDCD1 (0.35) PDCD1CD274EGFRMAPTHPGD
SCHEMBL1004044 0.90 GAA (0.38) PDCD1CD274EGFRMAPTHPGD
SCHEMBL1004042 0.90 GAA (0.38) PDCD1CD274EGFRMAPTHPGD
SCHEMBL1004456 0.89 HDAC2 (0.40) EGFRNR4A2HDAC2
SCHEMBL1004455 0.89 HDAC2 (0.40) EGFRNR4A2HDAC2
SCHEMBL1003985 0.85 KIF11 (0.37) DHODH
SCHEMBL1003983 0.85 KIF11 (0.37) DHODH
SCHEMBL1005560 0.82 NR4A2 (0.44) NR4A2
SCHEMBL1005559 0.82 NR4A2 (0.44) NR4A2
SCHEMBL1004479 0.81 CNR1 (0.34) PDCD1CD274MAPTHPGDSLC6A3

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PDCD1 1095/4885CD274 2549/4885EGFR 3591/4885

“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.