SCHEMBL5652628

SCHEMBL5652628

CC(C)(C)OC(=O)C(Cc1ccccc1)C(N)(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ATM Q13315 1/20 0.44
ACE P12821 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC7A5 Q01650 1/20 0.42
ADORA1 P30542 1/20 0.41
SRR Q9GZT4 1/20 0.41
KLK5 Q9Y337 1/20 0.40
MLYCD O95822 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27439561 1.00 MMP1 (0.47) MMP1MMP3MMP9ITGA4ITGB7
SCHEMBL5650826 1.00 MMP1 (0.47) MMP1MMP3MMP9ITGA4ITGB7
SCHEMBL27610061 0.86 CTSS (0.52) MMP1MMP3MMP9CTSSCTSK
SCHEMBL23789725 0.84 ITGA4 (0.50) MMP1MMP3MMP9ITGA4ITGB7
SCHEMBL5651688 0.84 MMP8 (0.51) POLBMAPTSRRSMN1; SMN2
SCHEMBL5651363 0.84 MMP8 (0.51) POLBMAPTSRRSMN1; SMN2
SCHEMBL8442322 0.82 LTA4H (0.47) CTSSCTSKCTSLCTSBTDP1
SCHEMBL10420967 0.82 LTA4H (0.47) CTSSCTSKCTSLCTSBTDP1
SCHEMBL5667024 0.79 ITGA4 (0.46) MMP1MMP3MMP9ITGA4ITGB7
SCHEMBL27877867 0.79 MMP1 (0.45) MMP1MMP3MMP9ITGA4ITGB7

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
CN-104447394-B Novel synthesis process of ubenimex 成都傲飞生物化学品有限责任公司 2017-01-18 CN disclosed
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
US-20040049074-A1 Process for producing 3-amino-2-hydroxypropionic acid derivatives KANEKA CORPORATION (JP) 2004-03-11 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 (2 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-20040049074-A1 Process for producing 3-amino-2-hydroxypropionic acid derivatives AASDHPPT, HPD, HAAO MMP1 4351/4885MMP3 1805/4885MMP9 2672/4885
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound HNMT, PNMT, HRH4 MMP1 3808/4885MMP3 4259/4885MMP9 3328/4885

“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.