SCHEMBL649086

SCHEMBL649086

CCN(CC)C(=O)Oc1ccc(C)cc1Cc1ccc(N2CC(=O)N(CC[Si](C)(C)C)S2(=O)=O)c(OCc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
PTGER1 P34995 13/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
CYP1A2 P05177 1/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 3/20 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
SCHEMBL3926598 0.88 MTNR1A (0.37) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL646235 0.86 PTGER1 (0.35) PTGER1PTGER4PTGER3PTGER2CYP1A2
SCHEMBL649118 0.83 MRGPRX4 (0.33) PTGER1PTGER4PTGER3PTGER2CYP1A2
SCHEMBL647136 0.82 CHRNA7 (0.34) PTGER1CYP1A2MTNR1AMTNR1B
SCHEMBL647699 0.81 BRD4 (0.41) PTGER1MTNR1AMTNR1B
SCHEMBL646635 0.81 PTGER1 (0.33) PTGER1CYP1A2
SCHEMBL648847 0.80 PTGER1 (0.33) PTGER1CYP1A2
SCHEMBL3918925 0.80 CHRNA7 (0.33) PTGER1CYP1A2MTNR1AMTNR1B
SCHEMBL646575 0.80 CYP19A1 (0.35) PTGER1CYP1A2MTNR1AMTNR1B
SCHEMBL646808 0.79 PTGER1 (0.40) PTGER1CYP1A2

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 APP 2587/4885PTGER1 978/4885PTGER4 1486/4885

“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.