SCHEMBL1731189

SCHEMBL1731189

COC(=O)C(Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 7/20 0.52
MCL1 Q07820 1/20 0.52
KLK5 Q9Y337 1/20 0.52
YAP1 P46937 1/20 0.47
GSTP1 P09211 2/20 0.47
GSTM2 P28161 2/20 0.47
PPARA Q07869 1/20 0.46
ACE P12821 1/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
CTSS P25774 3/20 0.45
CTSB P07858 2/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45

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
SCHEMBL29919848 1.00 BCL2 (0.52) BCL2MCL1KLK5YAP1GSTP1
SCHEMBL29162420 0.93 ACE (0.54) BCL2MCL1PPARAACECTSS
SCHEMBL23574509 0.87 GSTP1 (0.52) BCL2MCL1KLK5GSTP1GSTM2
SCHEMBL4107063 0.87 KLK5 (0.58) BCL2KLK5YAP1PPARAACE
SCHEMBL23574510 0.87 GSTP1 (0.52) BCL2MCL1KLK5GSTP1GSTM2
SCHEMBL4107015 0.87 KLK5 (0.58) BCL2KLK5YAP1PPARAACE
SCHEMBL3574819 0.87 GSTP1 (0.48) BCL2MCL1KLK5GSTP1GSTM2
SCHEMBL3574824 0.87 GSTP1 (0.48) BCL2MCL1KLK5GSTP1GSTM2
SCHEMBL29919587 0.86 BCL2 (0.47) BCL2MCL1PPARAACEITGA4
SCHEMBL16227984 0.85 KLK5 (0.56) BCL2KLK5YAP1PPARAACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492780-B1 5-SUBSTITUTED 1,1-DIOXO-¬1,2,5 THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS NOVARTIS AG (CH) 2011-11-23 EP disclosed
EP-2341049-A1 5-substituted 1,1-dioxo-[1,2,5]thiazolidine-3-one derivatives as PTPASE 1B inhibitors Novartis AG (CH) 2011-07-06 EP disclosed
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives NOVARTIS AG (CH) 2008-06-12 US disclosed
US-7291635-B2 5-substituted 1,1-dioxo-1,2,5,-thiadiazolidin-3-one derivatives NOVARTIS AG (CH) 2007-11-06 US disclosed
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents NOVARTIS AG (CH) 2005-04-28 US disclosed
EP-1492780-A1 5-SUBSTITUTED 1,1-DIOXO-[1,2,5]THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS Novartis AG (CH) 2005-01-05 EP disclosed
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 US disclosed
WO-2003082841-A1 5-SUBSTITUTED 1,1-DIOXO-`1,2,5!THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS NOVARTIS AG (CH) 2003-10-09 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 (3 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-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives PTPRS, PTPRJ, IRS1 BCL2 2428/4885MCL1 2837/4885KLK5 2702/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 BCL2 948/4885MCL1 1905/4885KLK5 3958/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 BCL2 1776/4885MCL1 2482/4885KLK5 3443/4885

“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.