SCHEMBL4903141

SCHEMBL4903141

CCOP(=O)(OCC)C(F)(F)c1ccc(Cn2c(-c3ccc(S(C)(=O)=O)cc3)cn(C3CC3)c2=O)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
ELANE P08246 3/20 0.34
PTGS2 P35354 3/20 0.33
PTPN1 P18031 2/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGDR Q13258 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
SCHEMBL4901255 0.89 PTPN1 (0.41) NR1H2ELANEPTGS2PTPN1
SCHEMBL4901282 0.88 PTGS2 (0.36) NR1H2PTGS2PTPN1
SCHEMBL4903151 0.85 ELANE (0.33) NR1H2ELANEPTGS2PTPN1TBXA2R
SCHEMBL4899986 0.85 PTPN1 (0.34) PTGS2PTPN1
SCHEMBL5802847 0.84 ELANE (0.36) NR1H2ELANEPTGS2TBXA2RPTGDR
SCHEMBL4900094 0.82 SDHB (0.34) NR1H2PTGS2PTPN1
SCHEMBL4901615 0.80 KMT2A (0.38) NR1H2PTGS2
SCHEMBL4901609 0.79 MKNK1 (0.37) ELANEPTGS2
SCHEMBL4894169 0.78 NR1H2 (0.36) NR1H2PTGS2PTPN1
SCHEMBL4891972 0.77 PTPN1 (0.40) PTGS2PTPN1

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 2 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 disclosed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS NR1H2 2792/4885ELANE 4393/4885PTGS2 1384/4885

“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.