SCHEMBL6510207

SCHEMBL6510207

CCCS(=O)(=O)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.55
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4183129 0.89 MEN1 (0.50) HDAC1MEN1MAPTKMT2AAURKA
SCHEMBL6507545 0.83 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6508755 0.81 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1883615 0.81 HDAC1 (0.83) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4747384 0.80 ROCK1 (0.47) MEN1MAPTKMT2APOLB
SCHEMBL6508983 0.79 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6511750 0.79 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8291893 0.78 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4747038 0.78 SMN1; SMN2 (0.52) MEN1MAPTKMT2APOLB
SCHEMBL6512630 0.77 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC6 10/4885HDAC3 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.