SCHEMBL5316014

SCHEMBL5316014

CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCc3cccnc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.61
HDAC4 P56524 18/20 0.61
HDAC1 Q13547 18/20 0.61
HDAC7 Q8WUI4 18/20 0.61
HDAC2 Q92769 18/20 0.61
HDAC10 Q969S8 18/20 0.61
HDAC11 Q96DB2 18/20 0.61
HDAC8 Q9BY41 18/20 0.61
HDAC6 Q9UBN7 18/20 0.61
HDAC9 Q9UKV0 18/20 0.61
HDAC5 Q9UQL6 18/20 0.61
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL5318461 0.86 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5337422 0.84 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318686 0.83 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315214 0.81 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4814251 0.80 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5317145 0.80 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8274002 0.80 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8276419 0.79 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5316554 0.79 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4887086 0.77 TSHR (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007067994-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
WO-2007067994-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 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-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE HDAC6, HDAC1, HDAC3 HDAC3 3/4885HDAC4 7/4885HDAC1 2/4885

“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.