SCHEMBL4294393

SCHEMBL4294393

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CN2C(=O)c3ccccc3C2=O)N(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
ACHE P22303 1/20 0.35
KEAP1 Q14145 3/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL21272035 1.00 KDM4E (0.36) KDM4EALDH1A1TDP1TP53ACHE
SCHEMBL21271883 1.00 KDM4E (0.36) KDM4EALDH1A1TDP1TP53ACHE
SCHEMBL21286395 0.89 ABCB1 (0.38) TP53MEN1KMT2A
SCHEMBL29985450 0.89 ABCB1 (0.38) TP53MEN1KMT2A
SCHEMBL3948504 0.89 ABCB1 (0.38) TP53MEN1KMT2A
SCHEMBL13661909 0.82 CYP1A2 (0.34) KDM4EALDH1A1TDP1TP53ACHE
SCHEMBL4296927 0.82 TP53 (0.37) KDM4EALDH1A1TDP1TP53ACHE
SCHEMBL4299042 0.79 ABHD6 (0.36) TDP1NPC1RAB9A
SCHEMBL4303297 0.79 ALDH1A1 (0.38) KDM4EALDH1A1TDP1TP53KEAP1
SCHEMBL15909212 0.79 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10

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 KDM4E 4421/4885ALDH1A1 2060/4885TDP1 3880/4885

“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.