SCHEMBL1732745

SCHEMBL1732745

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 1/20 0.39
DYRK1A Q13627 1/20 0.39
NAMPT P43490 1/20 0.38
TP53 P04637 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 1/20 0.38
PTBP1 P26599 1/20 0.38
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1733137 0.94 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4EABCB1
SCHEMBL1731142 0.90 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4ENAMPT
SCHEMBL6145790 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL1731085 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL1733039 0.82 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4ENAMPT
SCHEMBL1732274 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL1731106 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL1732294 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL192397 0.77 APLNR (0.56) ALDH1A1ABCB1TSHRMAPTNPSR1
SCHEMBL1732753 0.76 THRB (0.45) MEN1KMT2AALDH1A1KDM4ETSHR

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 2902/4885ALDH1A1 2368/4885
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 3782/4885ALDH1A1 4174/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 MEN1 4365/4885KMT2A 2311/4885ALDH1A1 2575/4885

“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.