SCHEMBL5652736

SCHEMBL5652736

CCOC(=O)[C@@H](C(N)c1ccccc1)[C@H](O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
PIN1 Q13526 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.40
METAP2 P50579 1/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5651686 1.00 MMP8 (0.47) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL5653524 0.88 MMP8 (0.48) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL4884767 0.84 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL4881723 0.84 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL6156033 0.84 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL4881722 0.84 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL6708546 0.84 MMP8 (0.46) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL10420966 0.84 LTA4H (0.48) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A3
SCHEMBL27316788 0.84 LTA4H (0.48) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4881666 0.83 PIN1 (0.50) MMP8PIN1MEN1NPC1KMT2A

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-7307184-B2 Processes for preparing oxazolidinone derivatives of β-hydroxyethlamine compounds and for preparing β-hydroxyethlamine compounds KANEKA CORPORATION (JP) 2007-12-11 US disclosed
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound KANEKA CORPORATION (JP) 2004-09-16 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-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound HNMT, PNMT, HRH4 MMP8 4042/4885PIN1 3711/4885MEN1 1269/4885

“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.