SCHEMBL4901617

SCHEMBL4901617

CCC(C)OP(=O)(O)C(F)(F)c1ccc(Cn2c(-c3ccc(S(C)(=O)=O)cc3)cn(Cc3cccc(NC(C)=O)c3)c2=O)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
ELANE P08246 6/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MLNR O43193 1/20 0.32
FYN P06241 1/20 0.32
EPHX2 P34913 1/20 0.31
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ACKR3 P25106 1/20 0.31
ESR1 P03372 1/20 0.31
ESRRG P62508 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
SCN3A Q9NY46 1/20 0.31
USP1 O94782 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL4901377 0.89 MKNK1 (0.37) MKNK1MKNK2MEN1KMT2AFYN
SCHEMBL4900105 0.89 NR1H2 (0.32) ELANEPTGS2
SCHEMBL4901609 0.88 MKNK1 (0.37) MKNK1MKNK2ELANEMEN1KMT2A
SCHEMBL4901627 0.87 KMT2A (0.34) MEN1KMT2APTGS2GAA
SCHEMBL4901292 0.84 PTPN1 (0.33) ELANEPTGS2MAPK8MAPK9MAPK10
SCHEMBL4899480 0.82 PTGS2 (0.34) PTGS2SCN3AMAPK8MAPK9MAPK10
SCHEMBL4903151 0.81 ELANE (0.33) ELANEPTGS2
SCHEMBL4890502 0.79 PTPN1 (0.41) PTGS2MAPK8MAPK9MAPK10
SCHEMBL4899485 0.79 PTGS2 (0.33) PTGS2MAPK8MAPK9MAPK10
SCHEMBL4894177 0.78 PTPN1 (0.35) ELANEPTGS2MAPK8MAPK9MAPK10

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 MKNK1 150/4885MKNK2 138/4885ELANE 4393/4885

“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.