SCHEMBL4901558

SCHEMBL4901558

O=C(O)c1ccc(CC2CNC(=O)N2Cc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC2 Q92769 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK10 P53779 1/20 0.34
ICAM1 P05362 1/20 0.33
HDAC1 Q13547 3/20 0.32
MCHR1 Q99705 1/20 0.32
GLRA3 O75311 1/20 0.31
GLRB P48167 1/20 0.31
PLCG1 P19174 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
RHEB Q15382 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
SCHEMBL4891990 0.90 MAPK10 (0.37) HDAC8HDAC6HDAC2ALDH1A1MAPK10
SCHEMBL4903501 0.78 ALDH1A1 (0.43) ALDH1A1MAPK10MCHR1KDM4ERHEB
SCHEMBL4901549 0.73 ALDH1A1 (0.34) HDAC8HDAC6ALDH1A1MAPK10HDAC1
SCHEMBL4891795 0.73 ALDH1A1 (0.34) HDAC8HDAC6ALDH1A1MAPK10HDAC1
SCHEMBL4891960 0.72 GCGR (0.34) HDAC6HDAC2ALDH1A1MAPK10HDAC1
SCHEMBL4901698 0.71 ALDH1A1 (0.38) ALDH1A1MAPK10MCHR1KDM4ERHEB
SCHEMBL4901306 0.70 ALDH1A1 (0.39) ALDH1A1MAPK10MCHR1KDM4ERHEB
SCHEMBL4895489 0.70 ALDH1A1 (0.39) HDAC8HDAC6ALDH1A1MAPK10HDAC1
SCHEMBL4898669 0.70 ALDH1A1 (0.39) HDAC8HDAC6ALDH1A1MAPK10HDAC1
SCHEMBL4954856 0.69 MCHR1 (0.33) ALDH1A1MAPK10MCHR1KDM4ERHEB

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 HDAC8 2655/4885HDAC6 2822/4885HDAC2 2365/4885

“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.