SCHEMBL2409587

SCHEMBL2409587

CC(C)(C)C(NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.45
HDAC8 Q9BY41 9/20 0.44
HDAC6 Q9UBN7 8/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 2/20 0.42
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL12279470 0.80 HDAC8 (0.45) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC2
SCHEMBL6918172 0.78 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2HDAC8HDAC6
SCHEMBL2409463 0.77 HDAC1 (0.67) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL12279807 0.77 HDAC6 (0.61) ALDH1A1GAASMN1; SMN2HDAC8HDAC6
SCHEMBL2413458 0.76 HDAC1 (0.56) ALDH1A1SMN1; SMN2HDAC8HDAC6HSD17B10
SCHEMBL12280148 0.76 HDAC1 (0.56) ALDH1A1SMN1; SMN2HDAC8HDAC6HSD17B10
SCHEMBL2406733 0.76 HDAC8 (0.58) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL2409455 0.75 HDAC1 (0.48) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC2
SCHEMBL2407846 0.75 PDE2A (0.54) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL14507863 0.74 ALDH1A1 (0.69) ALDH1A1GAASMN1; SMN2HSD17B10KDM4A

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
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885GAA 252/4885SMN1; SMN2 975/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885GAA 252/4885SMN1; SMN2 975/4885

“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.