SCHEMBL6154892

SCHEMBL6154892

NNC(=O)c1cc(O)cc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
NR4A2 P43354 1/20 0.45
GAA P10253 4/20 0.45
MAOB P27338 1/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 2/20 0.44
MAPT P10636 2/20 0.44
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GCGR P47871 1/20 0.43

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
SCHEMBL5552706 0.92 KDM4E (0.59) KDM4EMAPK14ALDH1A1MRGPRX4NR4A2
SCHEMBL5552572 0.88 KDM4E (0.60) KDM4EMAPK14ALDH1A1MRGPRX4NR4A2
SCHEMBL2649695 0.84 MAPK14 (0.64) KDM4EMAPK14NR4A2GAAMAOB
SCHEMBL5558737 0.84 MAPT (0.56) KDM4EMAPK14MRGPRX4NR4A2GAA
SCHEMBL6229502 0.76 RAB9A (0.56) KDM4EALDH1A1MRGPRX4MAOBTLR8
SCHEMBL2649734 0.75 NR4A2 (0.75) KDM4EALDH1A1MRGPRX4NR4A2GAA
SCHEMBL5558460 0.75 MAPT (0.61) KDM4EMAPK14GAAMAOBTLR8
SCHEMBL29646460 0.75 GAA (0.68) KDM4EALDH1A1GAAMAPT
SCHEMBL1127884 0.75 GAA (0.68) KDM4EALDH1A1GAAMAPT
SCHEMBL9589388 0.75 RAB9A (0.55) KDM4EALDH1A1MRGPRX4MAOBTLR8

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP KDM4E 1133/4885MAPK14 1731/4885ALDH1A1 961/4885

“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.