SCHEMBL1731679

SCHEMBL1731679

COc1ccc(CN2C(=O)CN(c3ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc3)S2(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
ADORA2A P29274 1/20 0.46
ACE P12821 1/20 0.45
PTPN1 P18031 3/20 0.42
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
CACNA1B Q00975 1/20 0.39
FPR2 P25090 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SRC P12931 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ELANE P08246 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL1731676 1.00 ITGB3 (0.47) ITGB3ITGA2BPPARGPPARAITGA4
SCHEMBL1731573 0.91 ACE (0.46) ITGB3ITGA2BPPARGPPARAITGA4
SCHEMBL1731576 0.91 ACE (0.46) ITGB3ITGA2BPPARGPPARAITGA4
SCHEMBL1732162 0.90 CACNA1B (0.46) ADORA2AACECACNA1BSRCCTSS
SCHEMBL1732161 0.90 CACNA1B (0.46) ADORA2AACECACNA1BSRCCTSS
SCHEMBL6925818 0.87 PTPN1 (0.47) PTPN1
SCHEMBL1731192 0.87 PTPN1 (0.47) PTPN1
SCHEMBL6141225 0.84 ADORA2A (0.41) ITGB3ITGA2BITGA4ITGB7ADORA2A
SCHEMBL1731832 0.84 ACE (0.47) ITGB3ITGA2BPPARGPPARAITGA4
SCHEMBL1732712 0.84 ADORA2A (0.49) ITGA4ADORA2AACEKMT2AFPR2

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 6 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
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 ITGB3 4265/4885ITGA2B 4051/4885PPARG 2137/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 ITGB3 4521/4885ITGA2B 4188/4885PPARG 2240/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 ITGB3 4455/4885ITGA2B 3043/4885PPARG 2460/4885

“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.