SCHEMBL4901698

SCHEMBL4901698

Cn1cc(-c2ccc(C(=O)O)cc2)n(Cc2ccc(CP(=O)(OF)OF)c(Br)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK10 P53779 1/20 0.38
MCHR1 Q99705 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4891992 0.91 MAPK10 (0.39) ALDH1A1MAPK10MCHR1KDM4EUSP2
SCHEMBL4895489 0.88 ALDH1A1 (0.39) ALDH1A1MAPK10MCHR1L3MBTL1MAPK8
SCHEMBL4898669 0.88 ALDH1A1 (0.39) ALDH1A1MAPK10MCHR1L3MBTL1MAPK8
SCHEMBL4898625 0.87 KDM4E (0.37) ALDH1A1MAPK10MCHR1KDM4ERHEB
SCHEMBL4898519 0.87 ALDH1A1 (0.34) ALDH1A1MAPK10MCHR1KDM4EMEN1
SCHEMBL4889733 0.87 ALDH1A1 (0.38) ALDH1A1MAPK10MCHR1POLBMAPT
SCHEMBL4901306 0.86 ALDH1A1 (0.39) ALDH1A1MAPK10MCHR1KDM4EMEN1
SCHEMBL4891960 0.86 GCGR (0.34) ALDH1A1MAPK10MCHR1GCGRGIPR
SCHEMBL4898674 0.86 ALDH1A1 (0.38) ALDH1A1MAPK10RHEBMMP13
SCHEMBL4901272 0.83 KDM4E (0.35) ALDH1A1MAPK10KDM4EMEN1POLB

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 3 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
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 ALDH1A1 3704/4885MAPK10 656/4885MCHR1 4148/4885

“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.