SCHEMBL4894081

SCHEMBL4894081

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 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 0.92 PTGS2 (0.33) L3MBTL1PTPN2PTPN1
SCHEMBL4894078 0.84 P2RX3 (0.35) P2RX3KDM4EHPGDALDH1A1PPARG
SCHEMBL4891880 0.82 PTPN1 (0.31) PTPN2PTPN1
SCHEMBL4892091 0.82 PTPN1 (0.42) KDM4EHPGDALDH1A1PPARGNCOA2
SCHEMBL4889894 0.77 PTPN1 (0.33) HPGDALDH1A1PPARGL3MBTL1PTPN2
SCHEMBL4899480 0.77 PTGS2 (0.34) L3MBTL1PTPN2PTPN1
SCHEMBL4897308 0.77 PTPN1 (0.45) L3MBTL1PTPN2PTPN1
SCHEMBL4901413 0.76 PTGS2 (0.32) PTPN2PTPN1
SCHEMBL4898664 0.74 PTPN1 (0.45) ALDH1A1L3MBTL1PTPN2PTPN1
SCHEMBL4895481 0.74 PTPN1 (0.45) ALDH1A1L3MBTL1PTPN2PTPN1

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 P2RX3 1690/4885KDM4E 1708/4885HPGD 3065/4885

“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.