SCHEMBL1731804

SCHEMBL1731804

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N2CC(=O)NS2(=O)=O)c(Br)c1)C(=O)NCCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.43
SRC P12931 1/20 0.43
OPRM1 P35372 1/20 0.40
CALCRL Q16602 1/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTPN2 P17706 1/20 0.39

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
SCHEMBL5188845 1.00 PTPN1 (0.43) PTPN1SRCOPRM1CALCRLCTSL
SCHEMBL1732781 1.00 PTPN1 (0.43) PTPN1SRCOPRM1CALCRLCTSL
SCHEMBL1731310 0.94 PTPN1 (0.49) PTPN1OPRM1PTPN2
SCHEMBL1731312 0.94 PTPN1 (0.49) PTPN1OPRM1PTPN2
SCHEMBL1732507 0.88 SRC (0.47) PTPN1SRCCTSLCTSSCTSK
SCHEMBL1730696 0.88 SRC (0.47) PTPN1SRCCTSLCTSSCTSK
SCHEMBL1731489 0.85 PTPN2 (0.46) PTPN1PTPN2
SCHEMBL1731486 0.85 PTPN2 (0.46) PTPN1PTPN2
SCHEMBL2184299 0.82 PTPN1 (0.52) PTPN1CTSSCTSKPTPN2
SCHEMBL1731562 0.82 PTPN1 (0.52) PTPN1CTSSCTSKPTPN2

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
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 claimed
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives NOVARTIS AG (CH) 2008-06-12 US claimed
US-7291635-B2 5-substituted 1,1-dioxo-1,2,5,-thiadiazolidin-3-one derivatives NOVARTIS AG (CH) 2007-11-06 US claimed
JP-2005535568-A 2005-11-24 JP claimed
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 claimed
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 claimed
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 US claimed
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 claimed
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-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 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 (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 PTPN1 10/4885SRC 251/4885OPRM1 3579/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 PTPN1 3/4885SRC 202/4885OPRM1 4570/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 PTPN1 9/4885SRC 149/4885OPRM1 3818/4885

“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.