SCHEMBL4254306

SCHEMBL4254306

CS(=O)(=O)Nc1cccc(Cn2ccc3ccc(C(=S)NO)cc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC3 O15379 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
EPHX2 P34913 5/20 0.44
PPARG P37231 4/20 0.44
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL1994742 0.88 HDAC6 (0.59) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL5469849 0.84 POLB (0.57) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4253141 0.82 HDAC8 (0.47) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4255642 0.81 HDAC8 (0.53) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4251224 0.80 EPHX2 (0.46) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4250064 0.80 HDAC8 (0.47) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4247700 0.80 HDAC8 (0.58) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4251128 0.78 HDAC8 (0.53) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4254015 0.76 HDAC8 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL1607766 0.76 HDAC8 (0.54) HDAC8HDAC6HDAC1HDAC2HDAC10

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 HDAC8 2/4885HDAC6 11/4885HDAC1 1/4885

“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.