SCHEMBL5872835

SCHEMBL5872835

O=C(O)c1cc(C(=O)O)c(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ASPH Q12797 1/20 0.52
KDM8 Q8N371 1/20 0.52
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 1/20 0.46
ALB P02768 2/20 0.44
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA4 P22748 2/20 0.39
ACMSD Q8TDX5 2/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL31258575 0.92 KEAP1 (0.50) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL363928 0.92 KEAP1 (0.50) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL1713733 0.91 KDM4E (0.54) KDM4EASPHKDM8KEAP1NFE2L2
Hydrochloric Acid SCHEMBL11035410 0.89 KEAP1 (0.48) KDM4EASPHKDM8KEAP1NFE2L2
Bromide SCHEMBL28745862 0.89 KEAP1 (0.48) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL9025859 0.88 KDM4E (0.44) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL25297555 0.85 KDM4E (0.45) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL26292285 0.84 TBK1 (0.45) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL363365 0.83 KEAP1 (0.48) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL604580 0.83 KEAP1 (0.50) KDM4EASPHKDM8KEAP1NFE2L2

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 KDM4E 1568/4885ASPH 2642/4885KDM8 1883/4885

“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.