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Sugi Predict / Compounds / SCHEMBL1731202

SCHEMBL1731202

SCHEMBL1731202

COc1ccc(CN2C(=O)CN(Cc3cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)c3)S2(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.45
▸ ACE P12821 1/20 0.42
▸ PPARA Q07869 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ CTSB P07858 2/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ APP P05067 1/20 0.39

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
SCHEMBL1731832 0.92 ACE (0.47) ACEPPARAPPARGPTPN1HDAC8
SCHEMBL1732498 0.89 CACNA1B (0.45) CACNA1BACEPPARAPTPN1HDAC8
SCHEMBL1732500 0.89 CACNA1B (0.45) CACNA1BACEPPARAPTPN1HDAC8
SCHEMBL1732161 0.86 CACNA1B (0.46) CACNA1BACEHDAC8YAP1SRC
SCHEMBL1732162 0.86 CACNA1B (0.46) CACNA1BACEHDAC8YAP1SRC
SCHEMBL1732843 0.84 PTPN1 (0.49) PTPN1CTSBCTSSCTSKCTSL
SCHEMBL1731573 0.82 ACE (0.46) ACEPPARAPPARGPTPN1HDAC8
SCHEMBL1731576 0.82 ACE (0.46) ACEPPARAPPARGPTPN1HDAC8
SCHEMBL9240969 0.79 CACNA1B (0.60) CACNA1BACEPPARAPPARGPTPN1
SCHEMBL6438287 0.79 CACNA1B (0.60) CACNA1BACEPPARAPPARGPTPN1

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 6 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
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 CACNA1B 3471/4885ACE 2123/4885PPARA 1904/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 CACNA1B 3031/4885ACE 1122/4885PPARA 2118/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 CACNA1B 3503/4885ACE 2874/4885PPARA 1848/4885

“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.