SCHEMBL4898670

SCHEMBL4898670

CC(C)(C)C(=O)OCOC(=O)c1ccc(-c2cn(Cc3ccccc3)c(=O)n2Cc2ccc(C(F)(F)P(=O)(O)OCOC(=O)C(C)(C)C)c(Br)c2)cc1.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
RXRA P19793 1/20 0.31
HTR4 Q13639 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK10 P53779 1/20 0.31
ENO1 P06733 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
MAPK8 P45983 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
SCHEMBL4891818 0.99 F2RL3 (0.33) F2RL3PTPN2PTPN1L3MBTL1HDAC6
SCHEMBL4898644 0.89 PTPN1 (0.31) PTPN2PTPN1
SCHEMBL14257198 0.89 PTPN1 (0.36) PTPN2PTPN1L3MBTL1MAPK10MAPK8
SCHEMBL14257179 0.89 AR (0.34) PTPN2PTPN1L3MBTL1HDAC6ALDH1A1
SCHEMBL4901576 0.84 F2RL3 (0.43) F2RL3PTPN2PTPN1L3MBTL1MAPK10
SCHEMBL14257181 0.83 AR (0.34) L3MBTL1HDAC6ALDH1A1ENO1HDAC1
SCHEMBL4956718 0.83 PTPN1 (0.31) PTPN2PTPN1
SCHEMBL4898662 0.82 NOTUM (0.33) PTPN2L3MBTL1HDAC6ALDH1A1MAPK10
SCHEMBL4903704 0.82 MAPK10 (0.42) PTPN2PTPN1L3MBTL1ALDH1A1MAPK10
SCHEMBL4901328 0.82 MAPK10 (0.42) PTPN2PTPN1L3MBTL1ALDH1A1MAPK10

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 F2RL3 4655/4885PTPN2 27/4885PTPN1 13/4885

“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.