SCHEMBL1732274

SCHEMBL1732274

COc1ccc(CN2C(=O)CN(Cc3ccc(CBr)cc3)S2(=O)=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 4/20 0.39
APLNR P35414 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
Hydrochloric Acid SCHEMBL1731106 0.88 MEN1 (0.43) MEN1KMT2AKDM4EAPLNRALDH1A1
SCHEMBL1733039 0.87 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL1731085 0.87 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL1732294 0.86 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL6145790 0.84 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL1731088 0.81 CSF1R (0.42) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL1731142 0.80 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL1732753 0.80 THRB (0.45) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL1732745 0.80 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL1731668 0.80 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1TSHR

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 MEN1 4338/4885KMT2A 2902/4885KDM4E 2525/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 MEN1 4482/4885KMT2A 3782/4885KDM4E 3358/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 MEN1 4365/4885KMT2A 2311/4885KDM4E 3127/4885

“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.