SCHEMBL646492

SCHEMBL646492

COc1cccc(Cc2ccc(N3CC(=O)NS3(=O)=O)c(OCc3ccccc3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.45
PTPN2 P17706 1/20 0.36
CHRNA7 P36544 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PTGER1 P34995 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL648884 0.94 PTPN1 (0.40) PTPN1PTPN2ALDH1A1MAPTPTGER1
SCHEMBL646919 0.84 PTPN1 (0.47) PTPN1PTPN2CHRNA7HSD17B10ALDH1A1
SCHEMBL648052 0.83 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL650084 0.83 PTPN1 (0.42) PTPN1PTPN2HSD17B10PDE4APDE4B
SCHEMBL3917104 0.81 PTPN1 (0.46) PTPN1PTPN2CHRNA7HSD17B10ALDH1A1
SCHEMBL649136 0.80 PTPN1 (0.44) PTPN1ALDH1A1MAPTNPC1RAB9A
SCHEMBL649401 0.80 ACHE (0.34) CHRNA7HSD17B10ALDH1A1MAPTKDM4C
SCHEMBL647267 0.79 MRGPRX4 (0.43) PTPN1HSD17B10MAPTPTGER1NPC1
SCHEMBL3926349 0.78 PTPN1 (0.45) PTPN1PTPN2PTGER1
SCHEMBL648083 0.78 MEN1 (0.46) PTPN1ALDH1A1MAPTPTGER1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 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 (1 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR PTPN1 17/4885PTPN2 9/4885CHRNA7 4025/4885

“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.