SCHEMBL4851065

SCHEMBL4851065

CC(C)C(=O)N(C(C)C)P(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL851464 0.81 LAP3 (0.36)
SCHEMBL23270909 0.72 CA12 (0.32) CA12CA1CA2MMP1MMP2
SCHEMBL16589417 0.66 TP53 (0.32)
SCHEMBL1647708 0.64 P2RX4 (0.31)
SCHEMBL898767 0.64 CA2 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL22199559 0.64 TP53 (0.30)
SCHEMBL3062829 0.64 CA2 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL8530586 0.64 CA2 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL24177184 0.63 FDPS (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL25000746 0.62

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-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

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 CA12 819/4885CA1 254/4885CA2 455/4885

“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.