SCHEMBL7799547

SCHEMBL7799547

CCOC(=O)C(CC(=O)c1ccc(Cl)cc1)(NC=O)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
OPRK1 P41145 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL7797583 0.89 ALDH1A1 (0.43) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL7800741 0.87 ALDH1A1 (0.44) SMN1; SMN2CYP1A2ALDH1A1MAPTKMT2A
SCHEMBL7799487 0.87 ALDH1A1 (0.49) SMN1; SMN2CYP1A2ALDH1A1MAPTKMT2A
SCHEMBL7791515 0.86 POLB (0.56) SMN1; SMN2CYP3A4ALDH1A1MAPTKMT2A
SCHEMBL7797586 0.86 MAPT (0.45) SMN1; SMN2TSHRALDH1A1MAPTLMNA
SCHEMBL7801959 0.86 ALDH1A1 (0.58) CYP1A2CYP3A4ALDH1A1MAPTKMT2A
SCHEMBL7800768 0.85 MAPT (0.44) SMN1; SMN2ALDH1A1MAPTKMT2ALMNA
SCHEMBL7797497 0.85 ALDH1A1 (0.45) ALDH1A1MAPTPOLBNPSR1PKM
SCHEMBL7797580 0.83 ERCC5 (0.43) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL7797647 0.83 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTKMT2ALMNA

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 SMN1; SMN2 732/4885TSHR 4661/4885ABCB11 3098/4885

“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.