SCHEMBL4894078

SCHEMBL4894078

CC(C)OC(=O)OC(C)OP(=O)(O)C(F)(F)c1ccc(Cn2c(-c3ccc(Cl)cc3)cn(Cc3ccccc3)c2=O)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PPARG P37231 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
CNR2 P34972 2/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL4889894 0.92 PTPN1 (0.33) L3MBTL1PTPN2PTPN1PPARGALDH1A1
SCHEMBL4899480 0.92 PTGS2 (0.34) L3MBTL1PTPN2PTPN1
SCHEMBL4894081 0.84 P2RX3 (0.33) P2RX3L3MBTL1PTPN2PTPN1PPARG
SCHEMBL4892091 0.83 PTPN1 (0.42) L3MBTL1PTPN2PTPN1PPARGKDM4E
SCHEMBL4891877 0.81 PTGS2 (0.33) PTPN2PTPN1
SCHEMBL4901235 0.79 PTGS1 (0.33) PTPN2PTPN1
SCHEMBL4897308 0.78 PTPN1 (0.45) L3MBTL1PTPN2PTPN1
SCHEMBL4899485 0.77 PTGS2 (0.33) L3MBTL1PTPN2PTPN1
SCHEMBL4895481 0.77 PTPN1 (0.45) L3MBTL1PTPN2PTPN1ALDH1A1
SCHEMBL4898664 0.77 PTPN1 (0.45) L3MBTL1PTPN2PTPN1ALDH1A1

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 5 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
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO 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 P2RX3 1690/4885L3MBTL1 3294/4885PTPN2 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.