SCHEMBL4903151

SCHEMBL4903151

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.33
NR1H2 P55055 1/20 0.32
PTPN1 P18031 5/20 0.32
PTGS2 P35354 2/20 0.31
TBXA2R P21731 1/20 0.31
PTGDR Q13258 1/20 0.31
PTPN2 P17706 2/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL4901292 0.89 PTPN1 (0.33) ELANENR1H2PTPN1PTGS2PTPN2
SCHEMBL4901255 0.88 PTPN1 (0.41) ELANENR1H2PTPN1PTGS2PTPN2
SCHEMBL4903141 0.85 NR1H2 (0.34) ELANENR1H2PTPN1PTGS2TBXA2R
SCHEMBL4900105 0.83 NR1H2 (0.32) ELANENR1H2PTPN1PTGS2
SCHEMBL4901627 0.82 KMT2A (0.34) PTGS2
SCHEMBL4901617 0.81 MKNK1 (0.33) ELANEPTGS2
SCHEMBL5802847 0.80 ELANE (0.36) ELANENR1H2PTGS2TBXA2RPTGDR
SCHEMBL4894177 0.80 PTPN1 (0.35) ELANENR1H2PTPN1PTGS2PTPN2
SCHEMBL4891877 0.77 PTGS2 (0.33) ELANEPTPN1PTGS2PTPN2PRMT5
SCHEMBL4901235 0.76 PTGS1 (0.33) ELANEPTPN1PTGS2PTPN2

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 ELANE 4393/4885NR1H2 2792/4885PTPN1 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.