SCHEMBL5284350

SCHEMBL5284350

CC(C)(C)OC(=O)Nc1ccc(SCC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
CYP17A1 P05093 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.48
FFAR1 O14842 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PTPN11 Q06124 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CTSB P07858 1/20 0.43
ELANE P08246 1/20 0.43
DUSP3 P51452 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL18656877 0.85 CYP17A1 (0.50) GAAALDH1A1MAPTRAB9ALMNA
SCHEMBL23092683 0.82 MEN1 (0.53) ALDH1A1MAPTRAB9ALMNACYP17A1
SCHEMBL17262740 0.81 ALDH1A1 (0.49) GAAALDH1A1MAPTRAB9ALMNA
SCHEMBL5290321 0.81 HDAC3 (0.47) GAAALDH1A1MAPTRAB9ALMNA
SCHEMBL13055402 0.80 CYP17A1 (0.59) GAAALDH1A1CYP17A1PTGDR2PTPN11
SCHEMBL14199186 0.80 GAA (0.69) GAAALDH1A1MAPTRAB9ALMNA
SCHEMBL12750936 0.80 CYP17A1 (0.50) ALDH1A1MAPTRAB9ALMNACYP17A1
SCHEMBL14861108 0.78 CYP17A1 (0.52) GAAMAPTRAB9ACYP17A1MEN1
SCHEMBL11002802 0.78 GAA (1.00) GAAALDH1A1MAPTRAB9ALMNA
SCHEMBL4200404 0.77 ALDH1A1 (0.53) GAAALDH1A1MAPTRAB9ALMNA

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
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 GAA 569/4885ALDH1A1 781/4885MAPT 3848/4885

“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.