SCHEMBL5943957

SCHEMBL5943957

CS(=O)(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.53
PARP1 P09874 1/20 0.50
HDAC6 Q9UBN7 6/20 0.49
HDAC1 Q13547 5/20 0.49
SCN9A Q15858 1/20 0.48
CAMKK2 Q96RR4 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NR1H2 P55055 1/20 0.45

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
SCHEMBL2342732 0.83 CAMKK2 (0.59) CAMKK2PTGS2
SCHEMBL29374737 0.83 CAMKK2 (0.59) CAMKK2PTGS2
SCHEMBL16566150 0.83 MAPT (0.56) CAMKK2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2345466 0.82 CA12 (0.59) CAMKK2PTGS2
SCHEMBL31610890 0.82 CA12 (0.59) CAMKK2PTGS2
SCHEMBL19058412 0.80 HDAC6 (0.82) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2358478 0.80 PTGS2 (0.46) CAMKK2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5943865 0.79 KIF11 (0.62) HDAC8PARP1HDAC6SCN9AALDH1A1
SCHEMBL4422041 0.78 HDAC6 (0.57) HDAC8HDAC6HDAC1MEN1ALDH1A1
SCHEMBL6243674 0.78 KCNH2 (0.50) NR1H2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HDAC8 9/4885PARP1 170/4885HDAC6 11/4885

“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.