SCHEMBL8110409

SCHEMBL8110409

CS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccccc2s1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.84
HDAC1 Q13547 14/20 0.84
HDAC3 O15379 13/20 0.84
HDAC4 P56524 13/20 0.84
HDAC7 Q8WUI4 13/20 0.84
HDAC2 Q92769 13/20 0.84
HDAC10 Q969S8 13/20 0.84
HDAC11 Q96DB2 13/20 0.84
HDAC8 Q9BY41 13/20 0.84
HDAC9 Q9UKV0 13/20 0.84
HDAC5 Q9UQL6 13/20 0.84
SIRT1 Q96EB6 3/20 0.48
SIRT2 Q8IXJ6 3/20 0.48
SIRT3 Q9NTG7 2/20 0.48

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
SCHEMBL8116706 0.92 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8116332 0.83 HDAC6 (0.80) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8111211 0.81 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5461892 0.78 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8115630 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8115307 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8111814 0.77 HDAC6 (0.85) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8117810 0.76 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8117178 0.75 HDAC6 (0.80) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5453922 0.75 HDAC6 (0.83) HDAC6HDAC1HDAC3HDAC4HDAC7

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 HDAC6 11/4885HDAC1 1/4885HDAC3 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.