SCHEMBL5872828

SCHEMBL5872828

O=C(O)c1cc(C(=O)O)c(F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ASPH Q12797 2/20 0.41
KDM8 Q8N371 2/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALB P02768 1/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
NAPRT Q6XQN6 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
STAT3 P40763 1/20 0.37
TSHR P16473 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37

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
Fluoride SCHEMBL28471027 0.87 KEAP1 (0.47) KEAP1KDM4EASPHKDM8NFE2L2
Fluoride SCHEMBL6445071 0.87 KEAP1 (0.47) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL29816825 0.87 KEAP1 (0.47) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL503374 0.87 KEAP1 (0.47) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL10455356 0.85 KEAP1 (0.45) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL8380321 0.85 CA1 (0.41) KEAP1KDM4EALDH1A1ALOX15ALB
Ammonia Solution, Strong SCHEMBL10455108 0.85 KEAP1 (0.45) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL10455293 0.85 KEAP1 (0.45) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL9689523 0.85 KEAP1 (0.45) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL10455362 0.85 KEAP1 (0.45) KEAP1KDM4EASPHKDM8NFE2L2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001905-B2 Substituted diarylamines as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-21 US disclosed
US-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors BIWERSI CATHLIN (US) 2003-12-04 US disclosed
EP-1339702-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-09-03 EP disclosed
WO-2001068619-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-20 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-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors NRAS, MAPK6, MAPK12 KEAP1 699/4885KDM4E 1568/4885ASPH 2642/4885

“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.