SCHEMBL7800749

SCHEMBL7800749

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
RECQL P46063 1/20 0.54
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 2/20 0.46
APP P05067 1/20 0.46
THRB P10828 2/20 0.46
HTT P42858 2/20 0.45
TAAR1 Q96RJ0 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNK3 O14649 1/20 0.41

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
SCHEMBL7799495 0.85 ALDH1A1 (0.56) ALDH1A1RECQLPKMKDM4EATM
SCHEMBL7799538 0.85 ALDH1A1 (0.59) ALDH1A1RECQLPKMKDM4EATM
SCHEMBL7797576 0.84 CTNNB1 (0.41) ALDH1A1RECQLPKMKDM4EAPP
SCHEMBL7800754 0.82 ALDH1A1 (0.56) ALDH1A1RECQLPKMKDM4EATM
SCHEMBL16122352 0.82 ALDH1A1 (0.56) ALDH1A1RECQLPKMKDM4EATM
SCHEMBL5036126 0.79 ALDH1A1 (0.66) ALDH1A1RECQLPKMKDM4EATM
SCHEMBL7797578 0.78 ALDH1A1 (0.50) ALDH1A1RECQLPKMKDM4EATM
SCHEMBL7791489 0.76 ALDH1A1 (0.49) ALDH1A1RECQLPKMKDM4EATM
SCHEMBL401715 0.76 LMNA (0.49) ALDH1A1KDM4EKMT2ATSHRLMNA
SCHEMBL2463688 0.76 ALDH1A1 (0.44) ALDH1A1RECQLPKMKDM4EATM

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 ALDH1A1 615/4885RECQL 4560/4885PKM 381/4885

“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.