SCHEMBL5400331

SCHEMBL5400331

O=C(O)C[C@H](O)C(=O)OCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CASP1 P29466 9/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDC25B P30305 1/20 0.44
SLC15A1 P46059 2/20 0.44
PAM P19021 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL536532 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CASP1SLC6A2
SCHEMBL1133837 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CASP1SLC6A2
SCHEMBL10357917 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CASP1SLC6A2
Glycolic Acid SCHEMBL537038 0.84 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1CASP1SLC6A2
SCHEMBL16399030 0.83 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1CASP1SLC6A2
SCHEMBL673677 0.83 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1CASP1SLC6A2
SCHEMBL5400343 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5400346 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7631946 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1CASP1SLC6A2
SCHEMBL20043008 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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-7169803-B2 N-substituted prodrugs of fluorooxindoles BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-20050203089-A1 N-substituted prodrugs of fluorooxindoles BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US 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-20050203089-A1 N-substituted prodrugs of fluorooxindoles KCNA5, KCNQ5, KCNQ2 ALDH1A1 2272/4885MAPK1 2122/4885L3MBTL1 1966/4885

“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.