SCHEMBL4890705

SCHEMBL4890705

N#Cc1ccc(-c2cn(Cc3ccccc3)c(=O)n2Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.42
PTPN2 P17706 3/20 0.42
PTPRC P08575 2/20 0.40
PTPN5 P54829 2/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AR P10275 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NCOA3 Q9Y6Q9 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
SCHEMBL4901608 0.92 PTPN5 (0.42) PTPN1PTPN2PTPRCPTPN5HDAC1
SCHEMBL4897308 0.91 PTPN1 (0.45) PTPN1PTPN2PTPRCPTPN5L3MBTL1
SCHEMBL4892091 0.89 PTPN1 (0.42) PTPN1PTPN2PTPRCPTPN5L3MBTL1
SCHEMBL4894157 0.89 MAPK10 (0.38) PTPN1PTPN2PTPRCCYP11B1CYP11B2
SCHEMBL4898664 0.88 PTPN1 (0.45) PTPN1PTPN2PTPRCHDAC1HDAC8
SCHEMBL4895481 0.88 PTPN1 (0.45) PTPN1PTPN2PTPRCHDAC1HDAC8
SCHEMBL14257154 0.86 PTPN5 (0.54) PTPN1PTPN5CYP11B1CYP11B2AR
SCHEMBL4899255 0.86 PTPN1 (0.44) PTPN1PTPN2PTPRCHDAC1HDAC8
SCHEMBL14257179 0.86 AR (0.34) PTPN1PTPN2CYP11B1CYP11B2HDAC1
SCHEMBL4898547 0.85 PTPN1 (0.39) PTPN1PTPN2PTPRCPTPN5HDAC1

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
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

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 PTPN1 13/4885PTPN2 27/4885PTPRC 18/4885

“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.