SCHEMBL1732917

SCHEMBL1732917

COc1ccc(CN2C(=O)CN(c3ccc(CC(NC(=O)C(Cc4ccccc4)NC(C)=O)C(=O)NCCc4ccc(CC(=O)OC(C)(C)C)cc4)cc3)S2(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ PSMB8 P28062 4/20 0.40
▸ PSMB5 P28074 4/20 0.40
▸ PSMB1 P20618 2/20 0.40
▸ PSMB9 P28065 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ MMP3 P08254 5/20 0.40
▸ MMP1 P03956 4/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ SRC P12931 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ CAPN1 P07384 1/20 0.37
▸ CTSL P07711 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
SCHEMBL1732916 1.00 PTPN1 (0.44) PTPN1KMT2ATSHRPSMB8PSMB5
SCHEMBL6141374 0.92 LCK (0.47) PTPN1KMT2ATSHRPSMB8PSMB5
SCHEMBL1732761 0.85 PTPN1 (0.54) PTPN1KMT2ATSHRSRC
SCHEMBL1732762 0.85 PTPN1 (0.54) PTPN1KMT2ATSHRSRC
SCHEMBL1732710 0.85 ADORA2A (0.49) KMT2ATSHRPSMB8PSMB5PSMB1
SCHEMBL1732712 0.85 ADORA2A (0.49) KMT2ATSHRPSMB8PSMB5PSMB1
SCHEMBL6282167 0.83 PTPN1 (0.62) PTPN1CTSL
SCHEMBL1732763 0.82 TACR1 (0.44) TSHRPSMB8PSMB5PSMB1PSMB9
SCHEMBL1731003 0.82 TACR1 (0.44) TSHRPSMB8PSMB5PSMB1PSMB9
SCHEMBL1732438 0.80 PTPN1 (0.53) PTPN1TSHR

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 PTPN1 10/4885KMT2A 2902/4885TSHR 1221/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 PTPN1 3/4885KMT2A 3782/4885TSHR 1291/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 PTPN1 9/4885KMT2A 2311/4885TSHR 1057/4885

“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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