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Sugi Predict / Compounds / SCHEMBL1732161

SCHEMBL1732161

SCHEMBL1732161

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.46
▸ SRC P12931 1/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 2/20 0.41
▸ YAP1 P46937 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ P2RX7 Q99572 2/20 0.40
▸ CTSS P25774 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ CTSK P43235 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
SCHEMBL1732162 1.00 CACNA1B (0.46) CACNA1BSRCADORA2ACTSLCTSB
SCHEMBL1732498 0.93 CACNA1B (0.45) CACNA1BSRCCTSLCTSBYAP1
SCHEMBL1732500 0.93 CACNA1B (0.45) CACNA1BSRCCTSLCTSBYAP1
SCHEMBL1731679 0.90 ITGB3 (0.47) CACNA1BSRCADORA2AACECTSS
SCHEMBL1731676 0.90 ITGB3 (0.47) CACNA1BSRCADORA2AACECTSS
SCHEMBL1732763 0.88 TACR1 (0.44) ADORA2ACTSLCTSBCTSSHDAC8
SCHEMBL1731003 0.88 TACR1 (0.44) ADORA2ACTSLCTSBCTSSHDAC8
SCHEMBL6142150 0.87 HDAC8 (0.40) CACNA1BADORA2ACTSLCTSBCTSS
SCHEMBL1731202 0.86 CACNA1B (0.45) CACNA1BSRCCTSLCTSBYAP1
SCHEMBL1731573 0.84 ACE (0.46) ADORA2ACTSLCTSBACECTSS

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 3471/4885SRC 251/4885ADORA2A 2975/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 CACNA1B 3031/4885SRC 202/4885ADORA2A 3865/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 CACNA1B 3503/4885SRC 149/4885ADORA2A 2704/4885

“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.