SCHEMBL16119404

SCHEMBL16119404

CCOC(=O)[C@H](CC(=O)c1ccc(Cl)cc1NC=O)NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
OR51E2 Q9H255 1/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TACR1 P25103 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
SCHEMBL16098526 0.86 GRN (0.38) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL17483039 0.84 ALDH1A1 (0.43) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL27373206 0.80 GAA (0.39) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL30852390 0.80 GAA (0.39) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL18613612 0.72 ABL1 (0.43) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL30852383 0.72 P2RX7 (0.44) ALDH1A1KDM4EALOX12KMT2ALMNA
SCHEMBL27373031 0.72 P2RX7 (0.44) ALDH1A1KDM4EALOX12KMT2ALMNA
SCHEMBL23486513 0.71 KDM4E (0.43) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL30852354 0.71 KDM4E (0.40) HPGDALDH1A1KDM4EKMT2AOR51E2
SCHEMBL30852329 0.70 MAPT (0.47) HPGDALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031800-A1 SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS AND INTERMEDIATES VISTAGEN THERAPEUTICS, INC. 2016-02-04 US disclosed
WO-2014152835-A1 SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS AND INTERMEDIATES VISTAGEN THERAPEUTICS, INC. (US) 2014-09-25 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 (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-20160031800-A1 SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS AND INTERMEDIATES KYNU, KMO, AADAT HPGD 216/4885GAA 3038/4885ALDH1A1 2824/4885

“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.