SCHEMBL5485839

SCHEMBL5485839

CCCCCN(CCCCC(NC(=O)O)c1nc2cc(-c3ccncc3)ccc2[nH]1)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
AAK1 Q2M2I8 4/20 0.41
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
EHMT2 Q96KQ7 2/20 0.37
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
PADI2 Q9Y2J8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5494956 0.93 ALDH1A1 (0.52) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5483551 0.84 ALDH1A1 (0.66) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17493778 0.77 AAK1 (0.63) AAK1MMP2MMP13MMP14
SCHEMBL17494080 0.72 AAK1 (0.55) AAK1MMP2MMP13MMP14ABL1
SCHEMBL8105909 0.71 HDAC6 (0.77) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20495339 0.71 PADI2 (0.42) ALDH1A1AAK1HDAC3HDAC4HDAC1
SCHEMBL5466458 0.69 HDAC6 (0.69) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15157031 0.68 ALDH1A1 (0.49) ALDH1A1AAK1EHMT2KDM4ESMN1; SMN2
SCHEMBL17494082 0.66 AAK1 (0.62) AAK1
SCHEMBL17494084 0.66 AAK1 (0.62) AAK1

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 ALDH1A1 854/4885AAK1 4719/4885HDAC3 4/4885

“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.