SCHEMBL4898658

SCHEMBL4898658

COC(=O)c1ccc(-c2cn(-c3ccccc3)c(=O)n2Cc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK10 P53779 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4898519 0.92 ALDH1A1 (0.34) MAPK8ALDH1A1MAPK10KDM4EMAPT
SCHEMBL4903709 0.89 MAPK10 (0.42) MAPK8ALDH1A1MAPK10KDM4EHIF1A
SCHEMBL4901331 0.89 MAPK10 (0.42) MAPK8ALDH1A1MAPK10KDM4EHIF1A
SCHEMBL4892739 0.89 KDM4E (0.47) MAPK8ALDH1A1MAPK10KDM4ECCR6
SCHEMBL4895554 0.89 MAPK8 (0.43) MAPK8ALDH1A1MAPK10KDM4EHIF1A
SCHEMBL4891992 0.88 MAPK10 (0.39) MAPK8ALDH1A1MAPK10KDM4ECCR6
SCHEMBL4890554 0.87 MAPK10 (0.38) MAPK8ALDH1A1MAPK10CCR6HKDC1
SCHEMBL4899314 0.85 MAPK10 (0.37) MAPK8ALDH1A1MAPK10KDM4ECCR6
SCHEMBL4893914 0.85 MAPK10 (0.36) MAPK8ALDH1A1MAPK10KDM4ECCR6
SCHEMBL4900023 0.85 MAPK10 (0.40) MAPK8ALDH1A1MAPK10MAPTTP53

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 claimed
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 MAPK8 682/4885ALDH1A1 3704/4885MAPK10 656/4885

“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.