SCHEMBL4298286

SCHEMBL4298286

O=C1c2ccccc2C(=O)N1C[C@H]1C[C@H](O)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KEAP1 Q14145 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
RIPK1 Q13546 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
PIK3CD O00329 1/20 0.38
TP53 P04637 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
SCHEMBL23119910 1.00 CA12 (0.44) CA12CA9KEAP1CYP1A2CYP2C9
SCHEMBL20479343 0.88 KEAP1 (0.43) CA12CA9KEAP1CYP1A2CYP2C9
SCHEMBL3949971 0.88 KEAP1 (0.43) CA12CA9KEAP1CYP1A2CYP2C9
SCHEMBL18342128 0.88 KEAP1 (0.43) CA12CA9KEAP1CYP1A2CYP2C9
SCHEMBL2796405 0.85 CA12 (0.43) CA12CA9KEAP1CYP1A2CYP2C9
SCHEMBL20956682 0.85 CA12 (0.43) CA12CA9KEAP1CYP1A2CYP2C9
SCHEMBL23119906 0.85 CA12 (0.43) CA12CA9KEAP1CYP1A2CYP2C9
SCHEMBL15174845 0.84 HCRTR1 (0.53) KEAP1MMP2MMP3MMP9MMP13
SCHEMBL15184187 0.84 HCRTR1 (0.53) KEAP1MMP2MMP3MMP9MMP13
SCHEMBL8572110 0.83 POLB (0.49) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF CA12 957/4885CA9 1030/4885KEAP1 1815/4885

“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.