SCHEMBL3770952

SCHEMBL3770952

CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
AAK1 Q2M2I8 2/20 0.41
NAMPT P43490 1/20 0.39
GHSR Q92847 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HIF1A Q16665 3/20 0.38
FAAH O00519 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CXCR2 P25025 1/20 0.36
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL1646602 0.82 AAK1 (0.52) CA1CA2CA9AAK1PRMT5
SCHEMBL3760018 0.80 HDAC1 (0.43) NAMPTGHSRFAAHHDAC1HDAC6
SCHEMBL14155968 0.80 CA1 (0.41) CA1CA2CA9AAK1NAMPT
SCHEMBL2074959 0.79 AAK1 (0.49) CA1CA2CA9AAK1NAMPT
SCHEMBL3769556 0.78 HDAC1 (0.48) NAMPTGHSRFAAHHDAC1HDAC6
SCHEMBL15882115 0.78 AAK1 (0.48) AAK1PRMT5WDR77HIF1A
SCHEMBL27354133 0.76 AAK1 (0.50) CA1CA2CA9AAK1GHSR
SCHEMBL65546 0.75 AAK1 (0.53) CA1CA2CA9AAK1PRMT5
SCHEMBL7771421 0.75 HDAC1 (0.58) GHSRFAAHHDAC1HDAC6
SCHEMBL1255934 0.74 AAK1 (0.54) CA1CA2CA9AAK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 CA1 2278/4885CA2 1254/4885CA9 1172/4885

“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.