SCHEMBL4892730

SCHEMBL4892730

COC(=O)c1ccc(-c2cn(CCc3ccccc3)c(=O)n2Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PTPN1 P18031 5/20 0.40
PTPN2 P17706 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC1 Q13547 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
PTPRC P08575 2/20 0.38
MAPK8 P45983 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK10 P53779 1/20 0.37
NOTUM Q6P988 1/20 0.36
MELK Q14680 1/20 0.35

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 0.93 MAPK10 (0.42) KDM4EPTPN1PTPN2PTPRCMAPK8
SCHEMBL4903704 0.93 MAPK10 (0.42) KDM4EPTPN1PTPN2PTPRCMAPK8
SCHEMBL4899310 0.91 PTPN1 (0.38) KDM4EPTPN1PTPN2CYP1A2CYP3A4
SCHEMBL4898619 0.91 PTPN1 (0.43) KDM4EPTPN1PTPN2HDAC1HDAC8
SCHEMBL4895547 0.90 MAPK8 (0.43) KDM4EPTPN1PTPN2PTPRCMAPK8
SCHEMBL4890553 0.90 PTPN1 (0.40) PTPN1PTPN2PTPRCMAPK8ALDH1A1
SCHEMBL4898651 0.88 PTPN1 (0.42) KDM4EPTPN1PTPN2PTPRCMAPK8
SCHEMBL4891987 0.88 PTPN1 (0.40) KDM4EPTPN1PTPN2PTPRCMAPK8
SCHEMBL14257149 0.87 MAPK10 (0.40) PTPN1PTPN2CYP1A2CYP3A4CYP2C9
SCHEMBL4900018 0.87 MAPK10 (0.40) PTPN1PTPN2HDAC1HDAC8HDAC6

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 5 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
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 KDM4E 1708/4885PTPN1 13/4885PTPN2 27/4885

“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.