SCHEMBL25455348

SCHEMBL25455348

CC(C)(C)OC(=O)NOCc1cc(CCl)cc(CCl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
CA1 P00915 6/20 0.37
CA2 P00918 5/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 2/20 0.37
APLNR P35414 1/20 0.36
CYP17A1 P05093 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AKT1 P31749 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MIF P14174 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
SCHEMBL25455347 0.84 AKT1 (0.39) GAACA1CA2CA12CA9
SCHEMBL25455333 0.82 CA1 (0.36) GAACA1CA2CA12CA9
SCHEMBL25456682 0.80 CA1 (0.43) GAACA1CA2CA12CA9
SCHEMBL25455352 0.79 CA12 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL3110471 0.78 GAA (0.57) GAACA1CA2CA9ALDH1A1
SCHEMBL716007 0.78 NPC1 (0.56) CA1CA12CA7CA14AKT1
SCHEMBL32665348 0.78 MIF (0.48) GAACYP17A1MEN1KMT2ANPC1
SCHEMBL18411746 0.77 CYP17A1 (0.43) CA1CA12CA9CYP17A1TDP1
SCHEMBL16588058 0.76 RAB9A (0.44) GAACA1CA12CYP17A1CA7
SCHEMBL20910512 0.76 TOP2A (0.42) GAACA1CA12CA9CYP17A1

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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 US disclosed
US-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 US disclosed
US-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 US disclosed
WO-2023056560-A1 MODULATORS OF ALPHA-4-BETA-7 INTEGRIN AND MADCAM 48HD BIOPHARMA INC. (CA) 2023-04-13 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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM ITGB7, ITGAM, ITGA4 GAA 408/4885CA1 3880/4885CA2 3260/4885

“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.