SCHEMBL646635

SCHEMBL646635

Cc1cc(C)c(N)c(Cc2ccc(N3CC(=O)N(CC[Si](C)(C)C)S3(=O)=O)c(OCc3ccccc3)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
P2RY12 Q9H244 1/20 0.31
SRD5A1 P18405 1/20 0.30

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
SCHEMBL648901 0.93 PTGER1 (0.37) PTGER1
SCHEMBL648847 0.89 PTGER1 (0.33) PTGER1CYP1A2ALDH1A1MAPTHSD17B10
SCHEMBL647136 0.87 CHRNA7 (0.34) PTGER1CYP1A2ALDH1A1MAPTHSD17B10
SCHEMBL647194 0.86 CSF1R (0.32) PTGER1CYP1A2
SCHEMBL646235 0.86 PTGER1 (0.35) PTGER1CYP1A2
SCHEMBL3918925 0.85 CHRNA7 (0.33) PTGER1CYP1A2ALDH1A1MAPTHSD17B10
SCHEMBL3926598 0.85 MTNR1A (0.37) PTGER1ALDH1A1MAPTHSD17B10KDM4C
SCHEMBL649118 0.85 MRGPRX4 (0.33) PTGER1CYP1A2P2RY12
SCHEMBL649516 0.83 MTNR1A (0.35) ALDH1A1MAPTHSD17B10KDM4C
SCHEMBL646797 0.83 PTGER1 (0.34) PTGER1ALDH1A1

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 3 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

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 PTGER1 978/4885CYP1A2 2346/4885ALDH1A1 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.