SCHEMBL31393

SCHEMBL31393

O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1.O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1.O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1.[Fe+3].[Fe+3]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP5 Q16690 4/20 0.59
PTPN1 P18031 5/20 0.53
DUSP6 Q16828 1/20 0.47
PTGS1 P23219 1/20 0.42
PKLR P30613 5/20 0.42
PGAM1 P18669 2/20 0.39
APP P05067 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PRMT1 Q99873 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GRK2 P25098 1/20 0.37
KMT2A Q03164 1/20 0.37
PLEC Q15149 1/20 0.37
PLCG1 P19174 1/20 0.36
SERPINE1 P05121 1/20 0.35

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
SCHEMBL10722008 0.98 DUSP5 (0.62) DUSP5PTPN1DUSP6PTGS1PKLR
Potassium Ion SCHEMBL3222667 0.96 DUSP5 (0.59) DUSP5PTPN1DUSP6PTGS1PKLR
Tiron SCHEMBL29385574 0.96 DUSP5 (0.65) DUSP5PTPN1DUSP6PTGS1PKLR
SCHEMBL9328871 0.96 DUSP5 (0.59) DUSP5PTPN1DUSP6PTGS1PKLR
Tiron SCHEMBL22220 0.96 DUSP5 (0.65) DUSP5PTPN1DUSP6PTGS1PKLR
SCHEMBL5310574 0.96 DUSP5 (0.65) DUSP5PTPN1DUSP6PTGS1PKLR
SCHEMBL8717950 0.96 DUSP5 (0.59) DUSP5PTPN1DUSP6PTGS1PKLR
Water SCHEMBL5097417 0.94 DUSP5 (0.62) DUSP5PTPN1DUSP6PTGS1PKLR
Water SCHEMBL3205313 0.94 DUSP5 (0.62) DUSP5PTPN1DUSP6PTGS1PKLR
Ammonia Solution, Strong SCHEMBL9751555 0.94 DUSP5 (0.62) DUSP5PTPN1DUSP6PTGS1PKLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011109877-A1 HEPARAN SULFATE REPLACEMENT THERAPY THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2011-09-15 WO claimed
US-20120058166-A1 FILAMENTS COMPRISING A NON-PERFUME ACTIVE AGENT NONWOVEN WEBS AND METHODS FOR MAKING SAME GLENN JR ROBERT WAYNE (US) 2012-03-08 US disclosed
US-20120048769-A1 PROCESS FOR MAKING FILMS FROM NONWOVEN WEBS SIVIK MARK ROBERT (US) 2012-03-01 US disclosed
US-20120052036-A1 FILAMENTS COMPRISING AN ACTIVE AGENT NONWOVEN WEBS AND METHODS FOR MAKING SAME GLENN JR ROBERT WAYNE (US) 2012-03-01 US disclosed
US-20120053108-A1 METHOD FOR DELIVERING AN ACTIVE AGENT GLENN JR ROBERT WAYNE (US) 2012-03-01 US disclosed
WO-2011109877-A1 HEPARAN SULFATE REPLACEMENT THERAPY THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2011-09-15 WO disclosed
US-5320969-A Measuring the change in color when complexing a metal compound and colored indicator in a buffered solution of biological sample, e.g. urine MILES INC. (US) 1994-06-14 US disclosed
US-5302531-A Mixture of complexing agent, metal compound and indicator MILES INC. (US) 1994-04-12 US disclosed
EP-0397213-A1 Radiolabeled antibody fragments MALLINCKRODT, INC. (US) 1990-11-14 EP disclosed
EP-0350972-A2 Radiolabeled antibody fragments Mallinckrodt, Inc. (a Delaware corporation) (US) 1990-01-17 EP disclosed
EP-0178125-A2 Labeled antibody fragments. Mallinckrodt, Inc. (a Delaware corporation) (US) 1986-04-16 EP 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-20120052036-A1 FILAMENTS COMPRISING AN ACTIVE AGENT NONWOVEN WEBS AND METHODS FOR MAKING SAME VCL, KRT18, TPM4 DUSP5 3062/4885PTPN1 3368/4885DUSP6 2559/4885
US-20120058166-A1 FILAMENTS COMPRISING A NON-PERFUME ACTIVE AGENT NONWOVEN WEBS AND METHODS FOR MAKING SAME KRT18, FLNA, NEFM DUSP5 2418/4885PTPN1 1574/4885DUSP6 2633/4885

“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.