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) —
SCHEMBL22199559 0.64 TP53 (0.30) —
SCHEMBL3062829 0.64 CA2 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL8530586 0.64 CA2 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL898767 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.

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