SCHEMBL7799522

SCHEMBL7799522

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.48
KMO O15229 2/20 0.47
MAPT P10636 3/20 0.46
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
HTT P42858 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
KCNMA1 Q12791 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7800761 1.00 LMNA (0.51) LMNAMAPK1ALDH1A1TSHRKMO
SCHEMBL7800766 1.00 LMNA (0.51) LMNAMAPK1ALDH1A1TSHRKMO
SCHEMBL7799546 0.83 GRIK1 (0.43) KMOGRIK1GRIK2
SCHEMBL7799550 0.83 GRIK1 (0.43) KMOGRIK1GRIK2
SCHEMBL7799560 0.83 POLB (0.46) LMNAALDH1A1KMOMAPTGRIK1
SCHEMBL7801989 0.83 GRIK1 (0.43) KMOGRIK1GRIK2
SCHEMBL7797480 0.80 NPC1 (0.56) ALDH1A1GRIK1GRIK2HTTKMT2A
SCHEMBL7797468 0.80 NPC1 (0.56) ALDH1A1GRIK1GRIK2HTTKMT2A
SCHEMBL7797478 0.80 NPC1 (0.56) ALDH1A1GRIK1GRIK2HTTKMT2A
SCHEMBL8397345 0.80 KMO (0.51) KMOGRIK1

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 LMNA 3836/4885MAPK1 2502/4885ALDH1A1 615/4885

“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.