SCHEMBL7797576

SCHEMBL7797576

CCOC(=O)C(CC(=O)c1ccccc1C(F)(F)F)(NC=O)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
CTSS P25774 4/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
APP P05067 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL7800783 0.85 NPC1 (0.44) POLBNPSR1LMNAGAAALDH1A1
SCHEMBL7797584 0.85 ERCC5 (0.42) CTNNB1WNT3APOLBNPSR1GAA
SCHEMBL7800749 0.84 ALDH1A1 (0.54) CTNNB1WNT3APOLBNPSR1KCNK3
SCHEMBL7791536 0.83 F2R (0.42) POLBNPSR1ALDH1A1RECQLKDM4E
SCHEMBL7799510 0.83 LMNA (0.47) POLBNPSR1LMNAGAAALDH1A1
SCHEMBL7791495 0.82 NPC1 (0.46) CTNNB1WNT3APOLBKCNK3KCNK9
SCHEMBL7791515 0.80 POLB (0.56) POLBNPSR1GAAALDH1A1RECQL
SCHEMBL7797497 0.78 ALDH1A1 (0.45) POLBNPSR1ALDH1A1PKMEPHX2
SCHEMBL7802058 0.77 ALDH1A1 (0.45) POLBNPSR1KCNK3KCNK9LMNA
SCHEMBL401715 0.75 LMNA (0.49) CTNNB1WNT3AKCNK3KCNK9LMNA

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 CTNNB1 3771/4885WNT3A 2977/4885POLB 1971/4885

“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.