SCHEMBL4890840

SCHEMBL4890840

COC(=O)COc1ccc(Cn2ccn(Cc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)c2=O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.38
PTPN2 P17706 3/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
MAPK10 P53779 1/20 0.36
PTPRC P08575 1/20 0.36
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL4898615 0.90 PTPN1 (0.45) PTPN1PTPN2TSHRMAPTPTPRC
SCHEMBL4890842 0.82 LMNA (0.38) LMNASMN1; SMN2TSHRGAAHTT
SCHEMBL4891994 0.82 NOTUM (0.46) PTPN1PTPN2SMN1; SMN2MAPK10PTPRC
SCHEMBL4894921 0.81 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL4897240 0.79 PTPN1 (0.51) PTPN1PTPN2LMNAMAPTPTPRC
SCHEMBL4901563 0.77 PTPN1 (0.50) PTPN1PTPN2MAPK10PTPRC
SCHEMBL4903166 0.76 MAPT (0.50) PTPN1PTPN2LMNAMAPTPTPRC
SCHEMBL4901595 0.76 PTPN1 (0.46) PTPN1PTPN2PTPRC
SCHEMBL4894929 0.73 PTPN1 (0.41) PTPN1PTPN2PTPRC
SCHEMBL3740491 0.72 PTPN1 (0.53) PTPN1PTPN2GAAPTPRC

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 PTPN1 13/4885PTPN2 27/4885LMNA 3553/4885

“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.