SCHEMBL1732371

SCHEMBL1732371

COc1ccc(CN2C(=O)CN(Cc3ccc(C(=O)OCc4ccc(S(C)(=O)=O)cc4)cc3)S2(=O)=O)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
PTGS2 P35354 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1732753 0.90 THRB (0.45) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1732786 0.89 KDM4E (0.44) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1731400 0.84 PTPN1 (0.37) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL1731668 0.83 MEN1 (0.40) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1731085 0.83 MEN1 (0.48) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1733039 0.83 MEN1 (0.46) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL27607658 0.81 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1732274 0.78 MEN1 (0.43) KMT2AMEN1ALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL1731106 0.77 MEN1 (0.43) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL6145790 0.77 MEN1 (0.48) KMT2AMEN1ALDH1A1KDM4EPOLB

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 KMT2A 2902/4885MEN1 4338/4885ALDH1A1 2368/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 KMT2A 3782/4885MEN1 4482/4885ALDH1A1 4174/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 KMT2A 2311/4885MEN1 4365/4885ALDH1A1 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.