SCHEMBL4891880

SCHEMBL4891880

CC(C)OC(COC=O)OP(=O)(O)C(F)(F)c1ccc(Cn2c(-c3ccc(S(C)(=O)=O)cc3)cn(C)c2=O)cc1Br

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.31
PTGS2 P35354 1/20 0.30
PTPN2 P17706 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
SCHEMBL4899485 0.91 PTGS2 (0.33) PTPN1PTGS2PTPN2
SCHEMBL4901413 0.88 PTGS2 (0.32) PTPN1PTGS2PTPN2
SCHEMBL4901292 0.86 PTPN1 (0.33) PTPN1PTGS2PTPN2
SCHEMBL4891877 0.84 PTGS2 (0.33) PTPN1PTGS2PTPN2
SCHEMBL4899373 0.83 PTPN1 (0.44) PTPN1PTGS2PTPN2
SCHEMBL4894081 0.82 P2RX3 (0.33) PTPN1PTPN2
SCHEMBL14257193 0.79 GCGR (0.34) PTPN1PTGS2PTPN2
SCHEMBL4901282 0.78 PTGS2 (0.36) PTPN1PTGS2PTPN2
SCHEMBL4903151 0.76 ELANE (0.33) PTPN1PTGS2PTPN2
SCHEMBL4901235 0.75 PTGS1 (0.33) PTPN1PTGS2PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS PTPN1 13/4885PTGS2 1384/4885PTPN2 27/4885

“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.