SCHEMBL25455352

SCHEMBL25455352

CC(C)(C)OC(=O)NOCCCCCCOc1cc(CCl)cc(CCl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
SUCNR1 Q9BXA5 3/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 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
SCHEMBL25456682 0.96 CA1 (0.43) CA12CA1CA2CA9SUCNR1
SCHEMBL25456679 0.87 CA12 (0.41) CA12CA1CA2CA9SUCNR1
SCHEMBL25455333 0.85 CA1 (0.36) CA12CA1CA2CA9TDP1
SCHEMBL25455341 0.80 HDAC8 (0.45) CA12CA1CA2CA9CNR1
SCHEMBL25456657 0.80 CA12 (0.43) CA12CA1CA2CA9HDAC3
SCHEMBL25455348 0.79 GAA (0.38) CA12CA1CA2CA9TDP1
SCHEMBL24142767 0.76 CA12 (0.57) CA12CA1CA2CA9SUCNR1
SCHEMBL25455331 0.76 CA12 (0.35) CA12CA1CA2CA9ITGB3
SCHEMBL25455351 0.76 CA12 (0.40) CA12CA1CA2CA9HDAC3
SCHEMBL25456675 0.75 MAPT (0.41) CA12CA1CA2CA9TDP1

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 CA12 2633/4885CA1 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.