SCHEMBL25455337

SCHEMBL25455337

COC(=O)c1cc(OCONC(=O)OC(C)(C)C)cc(C(C)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
SLC7A5 Q01650 2/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.33
SERPINE1 P05121 1/20 0.33
ATR Q13535 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
XDH P47989 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
SCHEMBL25455351 0.87 CA12 (0.40) CREBBPUSP2KDM4EATMCA12
SCHEMBL25456675 0.82 MAPT (0.41) USP2KDM4EATMCA12CA1
SCHEMBL25456657 0.81 CA12 (0.43) USP2KDM4EATMCA12CA1
SCHEMBL25455331 0.75 CA12 (0.35) CA12CA1CA2CA9CA7
SCHEMBL18748417 0.74 KDM4E (0.55) CREBBPKDM4EMAPTLMNAPOLB
SCHEMBL25455333 0.74 CA1 (0.36) KDM4ECA12CA1CA2CA9
SCHEMBL5779176 0.74 CA12 (0.54) CA12CA1CA2CA9MAPT
SCHEMBL14002247 0.73 ATM (0.46) USP2KDM4EATMCA12CA1
SCHEMBL25455338 0.72 CREBBP (0.44) CREBBPUSP2KDM4EATMCA12
SCHEMBL6243324 0.71 CA1 (0.48) USP2KDM4EATMCA12CA1

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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM ITGB7, ITGAM, ITGA4 CREBBP 2838/4885USP2 3943/4885KDM4E 1406/4885

“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.