SCHEMBL7797573

SCHEMBL7797573

N[C@@H](CC(=O)c1ccccc1F)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
PTPN1 P18031 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CES2 O00748 1/20 0.47
CES1 P23141 1/20 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
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
KMO O15229 3/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
GRM2 Q14416 1/20 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
SCHEMBL7797572 1.00 KDM4E (0.58) KDM4EHIF1ATDP1PTPN1ERCC5
SCHEMBL7791504 1.00 KDM4E (0.58) KDM4EHIF1ATDP1PTPN1ERCC5
Hydrochloric Acid SCHEMBL27418826 0.98 KDM4E (0.56) KDM4EHIF1ATDP1PTPN1ERCC5
Hydrochloric Acid SCHEMBL27418828 0.98 KDM4E (0.56) KDM4EHIF1ATDP1PTPN1ERCC5
SCHEMBL30767488 0.84 PTPN1 (0.58) TDP1PTPN1ERCC5FEN1CES2
L-Kynurenine SCHEMBL288989 0.81 KDM4E (0.64) KDM4EHIF1ATDP1ALPIPKM
SCHEMBL9067586 0.81 KDM4E (0.73) KDM4EHIF1ATDP1ALPIPKM
Kynurenine SCHEMBL288988 0.81 KDM4E (0.64) KDM4EHIF1ATDP1ALPIPKM
L-Kynurenine SCHEMBL13969610 0.81 KDM4E (0.64) KDM4EHIF1ATDP1ALPIPKM
Kynurenine SCHEMBL29349989 0.81 KDM4E (0.64) KDM4EHIF1ATDP1ALPIPKM

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.