SCHEMBL4919261

SCHEMBL4919261

CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.79
HDAC8 Q9BY41 5/20 0.79
HDAC3 O15379 4/20 0.79
OPRK1 P41145 2/20 0.60
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
SLC2A1 P11166 1/20 0.52
NAMPT P43490 1/20 0.52
HTT P42858 1/20 0.52
HDAC11 Q96DB2 2/20 0.51
GAA P10253 1/20 0.51
EPHX2 P34913 1/20 0.49
HDAC2 Q92769 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL4916863 0.83 HDAC6 (0.76) HDAC6HDAC8HDAC3ALDH1A1HPGD
SCHEMBL4920512 0.83 HDAC6 (0.72) HDAC6HDAC8HDAC3OPRK1ALDH1A1
SCHEMBL4919256 0.83 HDAC6 (0.76) HDAC6HDAC8HDAC3OPRK1ALDH1A1
SCHEMBL23052525 0.81 CA12 (0.63) HDAC6HDAC8HDAC3OPRK1ALDH1A1
SCHEMBL4927135 0.78 HDAC6 (0.68) HDAC6HDAC8HDAC3OPRK1HDAC11
SCHEMBL4930709 0.78 MMP1 (0.68)
SCHEMBL12078791 0.76 HDAC3 (0.78) HDAC6HDAC8HDAC3OPRK1ALDH1A1
SCHEMBL4923521 0.73 POLB (0.72) HDAC6HDAC8HDAC3OPRK1ALDH1A1
SCHEMBL13701763 0.73 HDAC3 (0.61) HDAC6HDAC8HDAC3OPRK1ALDH1A1
SCHEMBL21628465 0.73 NPC1 (0.58) HDAC6HDAC8HDAC3HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 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 (2 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 HDAC6 2092/4885HDAC8 3399/4885HDAC3 3274/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 HDAC6 2060/4885HDAC8 3570/4885HDAC3 3414/4885

“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.