SCHEMBL1731129

SCHEMBL1731129

CCn1c(C)nc2cc(C(=O)OC)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
KMT2A Q03164 4/20 0.71
RAB9A P51151 6/20 0.67
MAPT P10636 8/20 0.64
NPC1 O15118 4/20 0.64
USP2 O75604 1/20 0.64
TSHR P16473 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PTGER4 P35408 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
THRB P10828 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL2951350 0.90 KDM4E (0.81) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL11374354 0.89 KDM4E (0.81) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL14800064 0.89 KDM4E (0.80) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL24688398 0.85 KDM4E (0.74) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL6112835 0.84 KMT2A (0.76) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL1731013 0.84 KMT2A (0.76) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL18191353 0.83 KMT2A (1.00) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL8025911 0.82 KDM4E (0.70) KDM4ERAB9ANPC1ALDH1A1
SCHEMBL26336323 0.82 RAB9A (0.73) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL19987318 0.81 KDM4E (0.68) KDM4EMAPTNPC1TDP1GAA

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 8 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

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 KDM4E 2525/4885KMT2A 2902/4885RAB9A 3164/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 KDM4E 3358/4885KMT2A 3782/4885RAB9A 2691/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 KDM4E 3127/4885KMT2A 2311/4885RAB9A 3010/4885

“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.