SCHEMBL4850890

SCHEMBL4850890

CC(C)C[C@H](NC(=O)P(=O)(O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.48
PSMB5 P28074 6/20 0.48
CPA1 P15085 1/20 0.48
CPB1 P15086 1/20 0.48
CPA2 P48052 1/20 0.48
CPA4 Q9UI42 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
PTPN1 P18031 1/20 0.48
MMP3 P08254 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MME P08473 1/20 0.47

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
SCHEMBL5886644 0.86 MMP1 (0.63) MMP3MMP1MMP2
SCHEMBL13986872 0.86 MMP1 (0.63) MMP3MMP1MMP2
SCHEMBL5888758 0.83 PSMB1 (0.57) PSMB5CPA1CPA2CPA4MMP3
SCHEMBL13986873 0.83 PSMB1 (0.57) PSMB5CPA1CPA2CPA4MMP3
SCHEMBL9830820 0.79 MME (0.66) PSMB5CPA1ACE2MMP3MMP1
SCHEMBL9830825 0.79 MME (0.66) PSMB5CPA1ACE2MMP3MMP1
SCHEMBL5488615 0.77 CTSD (0.52)
SCHEMBL5886614 0.76 MMP1 (0.56) MMP3MMP1MMP2
SCHEMBL5886611 0.76 MMP1 (0.56) MMP3MMP1MMP2
SCHEMBL5886609 0.75 MMP1 (0.48) MMP3MMP1MMP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468359-B2 Compositions comprising oxophosphonate-based metalloproteinase inhibitors YISSUM RESEARCH DEVELPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (US) 2008-12-23 US disclosed
US-20060199787-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-09-07 US disclosed
US-7101864-B1 Compositions comprising oxophosphonate-based metalloproteinase inhibitors YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-09-05 US disclosed
EP-1223945-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-07-24 EP disclosed
WO-2001026661-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-04-19 WO 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-20060199787-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS ENPP1, MMP1, MMP9 REN 732/4885PSMB5 869/4885CPA1 67/4885

“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.