SCHEMBL7799495

SCHEMBL7799495

CCOC(=O)C(CC(=O)c1ccccc1F)(NC(C)=O)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 3/20 0.49
PKM P14618 2/20 0.49
TAAR1 Q96RJ0 3/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 2/20 0.48
THRB P10828 2/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
PTPN1 P18031 1/20 0.41
ERCC5 P28715 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
SCHEMBL7799538 0.87 ALDH1A1 (0.59) ALDH1A1RECQLKDM4EPKMTAAR1
SCHEMBL7800749 0.85 ALDH1A1 (0.54) ALDH1A1RECQLKDM4EPKMTAAR1
SCHEMBL7800754 0.85 ALDH1A1 (0.56) ALDH1A1RECQLKDM4EPKMTAAR1
SCHEMBL16122352 0.85 ALDH1A1 (0.56) ALDH1A1RECQLKDM4EPKMTAAR1
SCHEMBL7800783 0.84 NPC1 (0.44) ALDH1A1RECQLKDM4EPKMTAAR1
SCHEMBL5036126 0.81 ALDH1A1 (0.66) ALDH1A1RECQLKDM4EPKMTAAR1
SCHEMBL8397322 0.78 ALDH1A1 (0.46) ALDH1A1RECQLKDM4EPKMTAAR1
SCHEMBL7799486 0.78 POLB (0.54) ALDH1A1RECQLKDM4EPKMLMNA
SCHEMBL7800755 0.77 ALDH1A1 (0.45) ALDH1A1RECQLKDM4EPKMATM
SCHEMBL5402060 0.77 ALDH1A1 (0.60) ALDH1A1RECQLKDM4EPKMTAAR1

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 2 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

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 4560/4885KDM4E 122/4885

“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.