SCHEMBL296551

SCHEMBL296551

CC(C)(C)OC(=O)/C=C/c1ccn(S(=O)(=O)c2ccc(CN3CCOCC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPK1 P28482 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL296552 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC8RAB9A
SCHEMBL294696 0.85 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC8RAB9A
SCHEMBL294697 0.85 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC8RAB9A
SCHEMBL296582 0.84 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC8RAB9A
SCHEMBL296581 0.84 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC8RAB9A
SCHEMBL3140595 0.82 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8RAB9A
SCHEMBL297050 0.82 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8ALDH1A1
SCHEMBL297049 0.82 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8ALDH1A1
SCHEMBL6030621 0.80 TSHR (0.45) HDAC1HDAC6HDAC3HDAC8RAB9A
SCHEMBL296040 0.80 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232297-B2 Sulphonylpyrroles as inhibitors of HDACs novel sulphonylpyrroles 4SC AG (DE) 2012-07-31 US disclosed
US-8188138-B2 Sulphonylpyrrole hydrochloride salts as histone deacetylases inhibitors 4SC AG (DE) 2012-05-29 US disclosed
EP-1928872-B1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC 4SC AG (DE) 2012-03-14 EP disclosed
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors NYCOMED GMBH (DE) 2009-12-03 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-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC6 5/4885HDAC3 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.