SCHEMBL1732950

SCHEMBL1732950

Cc1cc(OCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL3445247 0.86 RAPGEF3 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30952855 0.86 RAPGEF3 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31255362 0.85 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27798824 0.85 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL20982550 0.84 MAPT (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8864730 0.84 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1941520 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27399229 0.84 MAPT (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17935270 0.83 MAPT (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19555415 0.83 MAPT (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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 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
EP-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP 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 NPC1 3415/4885RAB9A 3164/4885SMN1; SMN2 2763/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 NPC1 2799/4885RAB9A 2691/4885SMN1; SMN2 2848/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 NPC1 3835/4885RAB9A 3010/4885SMN1; SMN2 1515/4885

“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.