SCHEMBL7799502

SCHEMBL7799502

CCOC(=O)C(CC(=O)c1cccc(Br)c1)(NC=O)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53BP1 Q12888 1/20 0.38

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
SCHEMBL7800771 0.89 NPSR1 (0.42) ALDH1A1MAPTKDM4EPOLBNPSR1
SCHEMBL7801948 0.87 LMNA (0.47) ALDH1A1MAPTKDM4EPOLBNPSR1
SCHEMBL7800768 0.87 MAPT (0.44) ALDH1A1MAPTPOLBNPSR1L3MBTL1
SCHEMBL7799487 0.86 ALDH1A1 (0.49) ALDH1A1MAPTPOLBNPSR1MAPK1
SCHEMBL7791515 0.86 POLB (0.56) ALDH1A1MAPTKDM4EPOLBNPSR1
SCHEMBL7799507 0.86 CHRM2 (0.47) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL7802058 0.85 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBNPSR1
SCHEMBL7797583 0.81 ALDH1A1 (0.43) ALDH1A1MAPTPOLBNPSR1MEN1
SCHEMBL7797586 0.81 MAPT (0.45) ALDH1A1MAPTKDM4ENPSR1MAPK1
SCHEMBL7797567 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EPOLBMAPK1

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 4 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
EP-0662948-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-07-19 EP disclosed
WO-1995003271-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA S.P.A. (IT) 1995-02-02 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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES KYNU, KMO, ABAT ALDH1A1 615/4885MAPT 206/4885RXFP1 3741/4885

“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.