SCHEMBL630900

SCHEMBL630900

COc1ccc(CN2C(=O)CNS2(=O)=O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL963383 0.80 MEN1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4154483 0.74 APLNR (0.54) APLNRALDH1A1TSHRKDM4EMAPT
SCHEMBL10640944 0.71 KDM4E (0.53) APLNRALDH1A1TSHRKDM4EMAPT
SCHEMBL27396041 0.71 APLNR (0.51) APLNRALDH1A1TSHRKDM4EMAPT
SCHEMBL27396042 0.71 APLNR (0.48) APLNRALDH1A1TSHRKDM4EMAPT
SCHEMBL23120457 0.70 ALDH1A1 (0.49) APLNRALDH1A1TSHRKDM4EMAPT
SCHEMBL1732274 0.70 MEN1 (0.43) APLNRALDH1A1TSHRKDM4EMAPT
SCHEMBL19710911 0.70 ALDH1A1 (0.44) APLNRALDH1A1TSHRKDM4EMAPT
SCHEMBL9804694 0.70 KDM4E (0.61) APLNRALDH1A1TSHRKDM4EMAPT
SCHEMBL8373325 0.69 MTNR1A (0.52) APLNRALDH1A1TSHRKDM4EMEN1

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-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 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-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US 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 (4 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 APLNR 1606/4885ALDH1A1 2368/4885TSHR 1221/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC APLNR 2463/4885ALDH1A1 2690/4885TSHR 2240/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 APLNR 2601/4885ALDH1A1 4174/4885TSHR 1291/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 APLNR 1631/4885ALDH1A1 2575/4885TSHR 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.