SCHEMBL5470679

SCHEMBL5470679

COc1cc(NC(=O)C(CCCCNS(N)(=O)=O)NC(=O)O)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HDAC6 Q9UBN7 14/20 0.46
HDAC1 Q13547 12/20 0.46
HDAC3 O15379 10/20 0.46
HDAC4 P56524 10/20 0.46
HDAC7 Q8WUI4 10/20 0.46
HDAC2 Q92769 10/20 0.46
HDAC10 Q969S8 10/20 0.46
HDAC11 Q96DB2 10/20 0.46
HDAC8 Q9BY41 10/20 0.46
HDAC9 Q9UKV0 10/20 0.46
HDAC5 Q9UQL6 10/20 0.46
MMP2 P08253 1/20 0.43
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5457763 0.89 HDAC6 (0.47) CA12CA1CA2CA9CA14
SCHEMBL8114730 0.85 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5451717 0.80 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5466547 0.78 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5466535 0.77 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8119270 0.76 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5472250 0.74 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1067702 0.73 CYP3A4 (0.44) MMP2ALDH1A1L3MBTL1
SCHEMBL5462870 0.72 RAB9A (0.59) HDAC6HDAC1ALDH1A1L3MBTL1
SCHEMBL5462875 0.72 RAB9A (0.59) HDAC6HDAC1ALDH1A1L3MBTL1

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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 CA12 454/4885CA1 227/4885CA2 303/4885

“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.