SCHEMBL1731310

SCHEMBL1731310

CCCCCNC(=O)[C@H](Cc1ccc(N2CC(=O)NS2(=O)=O)c(Br)c1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 16/20 0.49
▸ PTPRA P18433 4/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40

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
SCHEMBL1731312 1.00 PTPN1 (0.49) PTPN1PTPRAPTPN2MEN1ALDH1A1
SCHEMBL5188845 0.94 PTPN1 (0.43) PTPN1PTPN2OPRM1
SCHEMBL1732781 0.94 PTPN1 (0.43) PTPN1PTPN2OPRM1
SCHEMBL1731804 0.94 PTPN1 (0.43) PTPN1PTPN2OPRM1
SCHEMBL1731562 0.88 PTPN1 (0.52) PTPN1PTPRAPTPN2MEN1ALDH1A1
SCHEMBL2184299 0.88 PTPN1 (0.52) PTPN1PTPRAPTPN2MEN1ALDH1A1
SCHEMBL1731564 0.88 PTPN1 (0.52) PTPN1PTPRAPTPN2MEN1ALDH1A1
SCHEMBL1732660 0.88 PTPN1 (0.50) PTPN1PTPRAPTPN2MEN1ALDH1A1
SCHEMBL1732891 0.88 PTPN1 (0.50) PTPN1PTPRAPTPN2MEN1ALDH1A1
SCHEMBL2186575 0.88 PTPN1 (0.50) PTPN1PTPRAPTPN2MEN1ALDH1A1

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 11 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
JP-2005535568-A — — 2005-11-24 — — JP 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
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 claimed
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 — — US claimed
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 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 PTPN1 10/4885PTPRA 17/4885PTPN2 11/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 PTPN1 3/4885PTPRA 27/4885PTPN2 5/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 PTPN1 9/4885PTPRA 19/4885PTPN2 10/4885

“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.

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