SCHEMBL7797591

SCHEMBL7797591

N[C@H](CC(=O)c1ccccc1Cl)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KMO O15229 2/20 0.55
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
KIF11 P52732 1/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44

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
SCHEMBL7797594 1.00 KDM4E (0.58) KDM4EHIF1ATDP1KMOERCC5
SCHEMBL7797633 1.00 KDM4E (0.58) KDM4EHIF1ATDP1KMOERCC5
SCHEMBL30852411 0.85 KDM4E (0.70) KDM4EHIF1ATDP1KMOERCC5
SCHEMBL31520061 0.85 KDM4E (0.70) KDM4EHIF1ATDP1KMOERCC5
SCHEMBL31520062 0.85 KDM4E (0.70) KDM4EHIF1ATDP1KMOERCC5
L-Kynurenine SCHEMBL13969610 0.81 KDM4E (0.64) KDM4EHIF1ATDP1KMOALDH1A1
L-Kynurenine SCHEMBL288989 0.81 KDM4E (0.64) KDM4EHIF1ATDP1KMOALDH1A1
SCHEMBL9067586 0.81 KDM4E (0.73) KDM4EHIF1ATDP1KMOALDH1A1
Kynurenine SCHEMBL288988 0.81 KDM4E (0.64) KDM4EHIF1ATDP1KMOALDH1A1
Kynurenine SCHEMBL20874 0.81 KDM4E (0.64) KDM4EHIF1ATDP1KMOALDH1A1

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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES VARASI MARIO (IT) 2001-07-19 US disclosed
EP-0662948-B1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN SPA (IT) 1998-10-07 EP 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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES KYNU, KMO, ABAT KDM4E 122/4885HIF1A 1445/4885TDP1 837/4885

“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.