SCHEMBL4895547

SCHEMBL4895547

COC(=O)c1ccc(Cn2cc(-c3ccccc3)n(Cc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.43
MAPK10 P53779 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PTPN2 P17706 5/20 0.42
PTPN1 P18031 5/20 0.42
PTPRC P08575 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL4901328 0.97 MAPK10 (0.42) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL4903704 0.97 MAPK10 (0.42) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL14257149 0.94 MAPK10 (0.40) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL4900018 0.94 MAPK10 (0.40) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL4890553 0.92 PTPN1 (0.40) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL4894157 0.91 MAPK10 (0.38) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL4901303 0.91 PTPN1 (0.46) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL4899487 0.90 MAPK10 (0.38) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL4892730 0.90 KDM4E (0.47) MAPK8MAPK10ALDH1A1PTPN2PTPN1
SCHEMBL4897308 0.90 PTPN1 (0.45) PTPN2PTPN1PTPRC

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 4 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

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 682/4885MAPK10 656/4885ALDH1A1 3704/4885

“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.