SCHEMBL1733137

SCHEMBL1733137

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ABCB1 P08183 1/20 0.37
RECQL P46063 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL1732745 0.94 MEN1 (0.41) ALDH1A1KDM4ETP53KMT2AMEN1
SCHEMBL1731142 0.86 MEN1 (0.41) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL6145790 0.85 MEN1 (0.48) ALDH1A1KDM4EPOLBTP53KMT2A
SCHEMBL1731085 0.78 MEN1 (0.48) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL1733039 0.78 MEN1 (0.46) ALDH1A1KDM4EPOLBTP53KMT2A
SCHEMBL1732274 0.77 MEN1 (0.43) ALDH1A1KDM4EKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL1731106 0.76 MEN1 (0.43) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL1732294 0.74 MEN1 (0.55) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3413772 0.73 NPC1 (0.55) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL1732753 0.73 THRB (0.45) ALDH1A1KDM4EPOLBKMT2AMEN1

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 ALDH1A1 2368/4885KDM4E 2525/4885POLB 3117/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 ALDH1A1 4174/4885KDM4E 3358/4885POLB 2211/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 ALDH1A1 2575/4885KDM4E 3127/4885POLB 2064/4885

“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.