SCHEMBL7797581

SCHEMBL7797581

N[C@@H](CC(=O)c1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 3/20 0.57
▸ SLC1A3 P43003 5/20 0.55
▸ SLC1A2 P43004 5/20 0.55
▸ SLC1A1 P43005 5/20 0.55
▸ CES2 O00748 2/20 0.54
▸ SRD5A2 P31213 1/20 0.50
▸ KIF11 P52732 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CTNNB1 P35222 1/20 0.47
▸ WNT3A P56704 1/20 0.47

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
SCHEMBL7797579 1.00 KMO (0.57) KMOSLC1A3SLC1A2SLC1A1CES2
SCHEMBL7797588 1.00 KMO (0.57) KMOSLC1A3SLC1A2SLC1A1CES2
SCHEMBL5122306 0.84 CES2 (0.56) KMOCES2SRD5A2NPSR1LMNA
SCHEMBL11151625 0.82 NPSR1 (0.55) CES2SRD5A2NPSR1LMNACTNNB1
SCHEMBL7800743 0.81 PDPK1 (0.60) KMOSLC1A3SLC1A2SLC1A1CES2
SCHEMBL13222715 0.80 NPSR1 (0.59) CES2SRD5A2NPSR1LMNACTNNB1
SCHEMBL7797488 0.80 KMO (0.61) KMOSLC1A1CES2LMNACTNNB1
SCHEMBL7797494 0.80 KMO (0.61) KMOSLC1A1CES2LMNACTNNB1
SCHEMBL7797498 0.80 KMO (0.61) KMOSLC1A1CES2LMNACTNNB1
SCHEMBL9585972 0.80 NPSR1 (0.52) CES2SRD5A2NPSR1LMNACTNNB1

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 KMO 2/4885SLC1A3 58/4885SLC1A2 42/4885

“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.

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