SCHEMBL1731003

SCHEMBL1731003

COc1ccc(CN2C(=O)CN(c3ccc(C[C@H](NC(=O)[C@H](Cc4ccccc4)NC(C)=O)C(=O)OCc4ccccc4)cc3)S2(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
TSHR P16473 2/20 0.44
MMP1 P03956 4/20 0.42
LCK P06239 1/20 0.42
ADORA2A P29274 1/20 0.41
F2 P00734 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PSMB8 P28062 3/20 0.41
PSMB5 P28074 3/20 0.41
PSMB1 P20618 1/20 0.41
PSMB9 P28065 1/20 0.41
CTSL P07711 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSB P07858 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
GAA P10253 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
SCHEMBL1732763 1.00 TACR1 (0.44) TACR1TSHRMMP1LCKADORA2A
SCHEMBL1732710 0.92 ADORA2A (0.49) TSHRMMP1LCKADORA2AALDH1A1
SCHEMBL1732712 0.92 ADORA2A (0.49) TSHRMMP1LCKADORA2AALDH1A1
SCHEMBL1732161 0.88 CACNA1B (0.46) ADORA2AHDAC8CTSLCTSSCTSK
SCHEMBL1732162 0.88 CACNA1B (0.46) ADORA2AHDAC8CTSLCTSSCTSK
SCHEMBL1732761 0.86 PTPN1 (0.54) TSHRALDH1A1
SCHEMBL1732762 0.86 PTPN1 (0.54) TSHRALDH1A1
SCHEMBL1731834 0.86 LTA4H (0.39) ADORA2AALDH1A1
SCHEMBL1731837 0.86 LTA4H (0.39) ADORA2AALDH1A1
SCHEMBL6142150 0.85 HDAC8 (0.40) ADORA2AF2HDAC8CTSLCTSS

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1852433-B1 CARBAZOLE DERIVATIVE, SOLVATE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZERIA PHARM CO LTD (JP) 2011-11-23 EP disclosed
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 TACR1 1887/4885TSHR 1221/4885MMP1 635/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 TACR1 1958/4885TSHR 1291/4885MMP1 504/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 TACR1 956/4885TSHR 1057/4885MMP1 503/4885

“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.