SCHEMBL4854252

SCHEMBL4854252

O=CN(SP(=O)(O)O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 10/20 0.43
FDPS P14324 1/20 0.42
ADH1C P00326 7/20 0.42
ADH4 P08319 1/20 0.40
ADH1B P00325 1/20 0.38
ALDH1A1 P00352 1/20 0.33
PHGDH O43175 2/20 0.32
MMP2 P08253 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
MMP8 P22894 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 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
SCHEMBL8045826 0.77 ADH1A (0.48) ADH1AADH1CADH4ADH1BPHGDH
SCHEMBL11855614 0.76 ADH1A (0.52) ADH1AFDPSADH1CADH4ADH1B
SCHEMBL11853298 0.68 ADH1A (0.39) ADH1AADH1CADH4ADH1B
Phosphoric Acid SCHEMBL28334275 0.66 FDPS (0.54) ADH1AFDPSADH1CADH4ADH1B
SCHEMBL3075520 0.65 FDPS (0.44) ADH1AFDPSADH1CALDH1A1PHGDH
SCHEMBL6687189 0.64 FDPS (0.52) ADH1AFDPSADH1CADH4ADH1B
SCHEMBL11701953 0.64 ADH1A (0.54) ADH1AFDPSADH1CADH4ADH1B
SCHEMBL3068146 0.64 FDPS (0.52) ADH1AFDPSADH1CADH4ADH1B
SCHEMBL8905856 0.64 ADH1A (0.54) ADH1AFDPSADH1CADH4ADH1B
SCHEMBL8573220 0.64 FDPS (0.47) ADH1AFDPSADH1CADH4ALDH1A1

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 ADH1A 3388/4885FDPS 402/4885ADH1C 3563/4885

“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.