SCHEMBL7800743

SCHEMBL7800743

NC(CC(=O)c1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.60
▸ PTPN1 P18031 2/20 0.54
▸ GSK3B P49841 2/20 0.54
▸ KMO O15229 2/20 0.54
▸ KIF11 P52732 1/20 0.52
▸ GRIK1 P39086 1/20 0.51
▸ GRIK2 Q13002 1/20 0.51
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ SLC1A3 P43003 2/20 0.48
▸ SLC1A2 P43004 2/20 0.48
▸ SLC1A1 P43005 2/20 0.48
▸ GRM8 O00222 1/20 0.48
▸ GRM4 Q14833 1/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ GRB2 P62993 1/20 0.46

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
SCHEMBL19642328 0.84 PDPK1 (0.65) PDPK1PTPN1GSK3BCES2CES1
SCHEMBL7797581 0.81 KMO (0.57) KMOKIF11CES2SLC1A3SLC1A2
SCHEMBL7797588 0.81 KMO (0.57) KMOKIF11CES2SLC1A3SLC1A2
SCHEMBL7797579 0.81 KMO (0.57) KMOKIF11CES2SLC1A3SLC1A2
SCHEMBL11780105 0.81 PDPK1 (0.61) PDPK1PTPN1GSK3BKMOCES2
SCHEMBL7797477 0.81 KMO (0.58) PTPN1KMOKIF11GRIK1GRIK2
SCHEMBL7797479 0.81 KMO (0.58) PTPN1KMOKIF11GRIK1GRIK2
SCHEMBL11167372 0.80 PDPK1 (0.60) PDPK1PTPN1GSK3BCES2CES1
Hydrochloric Acid SCHEMBL27448087 0.79 KMO (0.59) PTPN1KMOKIF11GRIK1GRIK2
Hydrochloric Acid SCHEMBL27448086 0.79 KMO (0.59) PTPN1KMOKIF11GRIK1GRIK2

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 PDPK1 797/4885PTPN1 3191/4885GSK3B 371/4885

“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.

Send feedback