SCHEMBL1732786

SCHEMBL1732786

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 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
SCHEMBL1732753 0.92 THRB (0.45) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1732371 0.89 KMT2A (0.39) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL1731400 0.85 PTPN1 (0.37) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL1731668 0.84 MEN1 (0.40) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1731085 0.84 MEN1 (0.48) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1733039 0.84 MEN1 (0.46) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1732274 0.79 MEN1 (0.43) KDM4ESMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1731106 0.78 MEN1 (0.43) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6145790 0.78 MEN1 (0.48) KDM4ESMN1; SMN2MAPTRAB9AMEN1
SCHEMBL1732294 0.76 MEN1 (0.55) KDM4ESMN1; SMN2MAPTMEN1KMT2A

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 KDM4E 2525/4885SMN1; SMN2 2763/4885MAPT 4056/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 KDM4E 3358/4885SMN1; SMN2 2848/4885MAPT 4102/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 KDM4E 3127/4885SMN1; SMN2 1515/4885MAPT 4727/4885

“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.