SCHEMBL649401

SCHEMBL649401

COc1cccc(Cc2ccc(N3CC(=O)N(CC[Si](C)(C)C)S3(=O)=O)c(OCc3ccccc3)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
CHRNA7 P36544 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PTGER1 P34995 2/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MAOB P27338 1/20 0.31
PDE4B Q07343 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3917894 0.95 TRPV3 (0.34) ACHECHRNA7ALDH1A1MAPTHSD17B10
SCHEMBL647136 0.87 CHRNA7 (0.34) ACHECHRNA7ALDH1A1MAPTHSD17B10
SCHEMBL646608 0.85 ACHE (0.33) ACHECHRNA7ALDH1A1MAPTHSD17B10
SCHEMBL3916415 0.84 APP (0.35) PDE4BMEN1KMT2A
SCHEMBL3916419 0.84 APP (0.35) PDE4BMEN1KMT2A
SCHEMBL3918925 0.84 CHRNA7 (0.33) CHRNA7ALDH1A1MAPTHSD17B10KDM4C
SCHEMBL646575 0.83 CYP19A1 (0.35) CHRNA7ALDH1A1MAPTHSD17B10KDM4C
SCHEMBL647168 0.83 CHRNA7 (0.34) ACHECHRNA7ALDH1A1MAPTHSD17B10
SCHEMBL648847 0.82 PTGER1 (0.33) CHRNA7ALDH1A1MAPTHSD17B10KDM4C
SCHEMBL3926598 0.82 MTNR1A (0.37) ALDH1A1MAPTHSD17B10KDM4CPTGER1

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 ACHE 1561/4885CHRNA7 4025/4885ALDH1A1 2398/4885

“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.