SCHEMBL5012235

SCHEMBL5012235

O=C(O)c1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
STING1 Q86WV6 4/20 0.37
CYTH3 O43739 1/20 0.37
BTK Q06187 1/20 0.37
EPN1 Q9Y6I3 1/20 0.37
HCAR2 Q8TDS4 8/20 0.36
DAO P14920 1/20 0.36
PYGL P06737 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
ALOX15 P16050 1/20 0.34
ACKR3 P25106 1/20 0.34
HCAR3 P49019 2/20 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
SCHEMBL3822963 0.84 PYGL (0.50) PYGL
SCHEMBL5013483 0.83 GPR27 (0.44) KEAP1NFE2L2STING1CYTH3BTK
SCHEMBL5010377 0.80 CYTH3 (0.38) KEAP1NFE2L2STING1CYTH3BTK
SCHEMBL3825349 0.80 HCAR2 (0.44) STING1CYTH3BTKEPN1HCAR2
SCHEMBL5009899 0.77 STING1 (0.41) STING1HCAR2DAOPYGLKDM4E
SCHEMBL5013495 0.77 PYGL (0.44) PYGL
SCHEMBL113812 0.76 KEAP1 (1.00) KEAP1NFE2L2CTNNB1TCF7L2DAO
SCHEMBL29744459 0.76 KEAP1 (1.00) KEAP1NFE2L2CTNNB1TCF7L2DAO
SCHEMBL14587856 0.76 HTT (0.47) KDM4E
SCHEMBL31048876 0.75 KEAP1 (0.65) KEAP1NFE2L2CTNNB1TCF7L2ACKR3

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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL KEAP1 1368/4885NFE2L2 3887/4885CTNNB1 790/4885

“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.