SCHEMBL7797583

SCHEMBL7797583

CCOC(=O)C(CC(=O)c1ccc(C)cc1)(NC=O)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
GSK3B P49841 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.38
DHODH Q02127 1/20 0.38
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL7800741 0.89 ALDH1A1 (0.44) ALDH1A1POLBNPSR1PKMMAPT
SCHEMBL7799487 0.89 ALDH1A1 (0.49) ALDH1A1POLBNPSR1PKMRAB9A
SCHEMBL7799547 0.89 SMN1; SMN2 (0.45) ALDH1A1POLBNPSR1PKMRAB9A
SCHEMBL7791515 0.89 POLB (0.56) ALDH1A1POLBNPSR1PKMRAB9A
SCHEMBL7801959 0.88 ALDH1A1 (0.58) ALDH1A1POLBNPSR1MAPTKMT2A
SCHEMBL7797497 0.87 ALDH1A1 (0.45) ALDH1A1POLBNPSR1PKMMAPT
SCHEMBL7800771 0.84 NPSR1 (0.42) ALDH1A1POLBNPSR1PKMRAB9A
SCHEMBL7797586 0.83 MAPT (0.45) ALDH1A1NPSR1PKMMAPTHPGD
SCHEMBL7797567 0.82 ALDH1A1 (0.47) ALDH1A1POLBRAB9ANPC1MAPT
SCHEMBL7799502 0.81 ALDH1A1 (0.43) ALDH1A1POLBNPSR1PKMNPC1

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 615/4885POLB 1971/4885NPSR1 2884/4885

“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.