SCHEMBL7799560

SCHEMBL7799560

COc1ccc(Br)cc1C(=O)CC(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HIF1A Q16665 1/20 0.43
ACHE P22303 1/20 0.42
HTR4 Q13639 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL7801989 0.83 GRIK1 (0.43) GRIK1GRIK2SMN1; SMN2CYP2C19KDM4E
SCHEMBL7800761 0.83 LMNA (0.51) GRIK1GRIK2ALDH1A1MAPTNPSR1
SCHEMBL7799546 0.83 GRIK1 (0.43) GRIK1GRIK2SMN1; SMN2CYP2C19KDM4E
SCHEMBL7799550 0.83 GRIK1 (0.43) GRIK1GRIK2SMN1; SMN2CYP2C19KDM4E
SCHEMBL7799522 0.83 LMNA (0.51) GRIK1GRIK2ALDH1A1MAPTNPSR1
SCHEMBL7800766 0.83 LMNA (0.51) GRIK1GRIK2ALDH1A1MAPTNPSR1
SCHEMBL3146454 0.80 KDM4E (0.57) POLBGRIK1GRIK2MAPTKDM4E
SCHEMBL8396835 0.80 KDM4E (0.57) POLBGRIK1GRIK2MAPTKDM4E
SCHEMBL31520058 0.80 KDM4E (0.57) POLBGRIK1GRIK2MAPTKDM4E
SCHEMBL7797480 0.80 NPC1 (0.56) POLBGRIK1GRIK2ALDH1A1NPSR1

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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 POLB 1971/4885GRIK1 83/4885GRIK2 61/4885

“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.