SCHEMBL1731489

SCHEMBL1731489

O=C1CN(c2ccc(CC(NS(=O)(=O)c3ccccc3)C(=O)NCCCCc3ccccc3)cc2Br)S(=O)(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY5R Q15761 1/20 0.39
AVPR1B P47901 1/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MMP13 P45452 2/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 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
SCHEMBL1731486 1.00 PTPN2 (0.46) PTPN2PTPN1ALDH1A1MAPK1MMP2
SCHEMBL3221860 0.92 PTPN1 (0.47) PTPN2PTPN1ALDH1A1MAPK1MMP2
SCHEMBL14395947 0.92 PTPN1 (0.47) PTPN2PTPN1ALDH1A1MAPK1MMP2
SCHEMBL3221869 0.92 PTPN1 (0.47) PTPN2PTPN1ALDH1A1MAPK1MMP2
SCHEMBL1732343 0.87 NPY5R (0.43) PTPN2PTPN1ALDH1A1MAPK1MMP2
SCHEMBL1731665 0.87 NPY5R (0.43) PTPN2PTPN1ALDH1A1MAPK1MMP2
SCHEMBL5188845 0.85 PTPN1 (0.43) PTPN2PTPN1
SCHEMBL1732781 0.85 PTPN1 (0.43) PTPN2PTPN1
SCHEMBL1731804 0.85 PTPN1 (0.43) PTPN2PTPN1
SCHEMBL3222069 0.84 PTPN1 (0.48) PTPN2PTPN1ALDH1A1MAPK1MMP2

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 claimed
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives NOVARTIS AG (CH) 2008-06-12 US claimed
US-7291635-B2 5-substituted 1,1-dioxo-1,2,5,-thiadiazolidin-3-one derivatives NOVARTIS AG (CH) 2007-11-06 US claimed
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 claimed
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 US claimed
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-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 US 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 PTPN2 11/4885PTPN1 10/4885ALDH1A1 2368/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 PTPN2 5/4885PTPN1 3/4885ALDH1A1 4174/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 PTPN2 10/4885PTPN1 9/4885ALDH1A1 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.