SCHEMBL4901410

SCHEMBL4901410

CC(C)OC(=O)OC(C)OP(=O)(O)C(F)(F)c1ccc(Cn2c(-c3ccc(S(C)(=O)=O)cc3)c[nH]c2=O)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.33
PTGS1 P23219 2/20 0.33
PTPN1 P18031 6/20 0.32
PTPN2 P17706 2/20 0.32
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL4891877 0.87 PTGS2 (0.33) PTGS2PTGS1PTPN1PTPN2MAPK8
SCHEMBL4901235 0.85 PTGS1 (0.33) PTGS2PTGS1PTPN1PTPN2
SCHEMBL4899480 0.85 PTGS2 (0.34) PTGS2PTGS1PTPN1PTPN2MAPK8
SCHEMBL4901413 0.84 PTGS2 (0.32) PTGS2PTPN1PTPN2
SCHEMBL4900039 0.84 PTPN1 (0.44) PTGS2PTPN1PTPN2MAPK8MAPK9
SCHEMBL14257189 0.82 PTPN1 (0.34) PTGS2PTPN1PTPN2MAPK8MAPK9
SCHEMBL4890472 0.78 PTPN1 (0.33) PTGS2PTGS1PTPN1PTPN2
SCHEMBL4894078 0.76 P2RX3 (0.35) PTPN1PTPN2
SCHEMBL4958014 0.75 PTPN2 (0.31) PTPN1PTPN2
SCHEMBL4889894 0.74 PTPN1 (0.33) PTPN1PTPN2

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 4 patents. 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 claimed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
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 PTGS2 1384/4885PTGS1 1053/4885PTPN1 13/4885

“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.