SCHEMBL547994

SCHEMBL547994

CC(C)(C)OC(=O)C(CCCCCC#N)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.38
CTSS P25774 10/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23009823 0.87 KMT2A (0.39) CTSKMEN1KMT2AGAAMAPT
SCHEMBL16412190 0.85 USP2 (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL8490442 0.80 ZDHHC7 (0.46) MAPT
SCHEMBL7370423 0.80 TDP1 (0.49) MEN1KMT2AGAATDP1
SCHEMBL17377641 0.80 ZDHHC7 (0.46) MAPT
SCHEMBL28669106 0.79 USP2 (0.44) CTSKCTSSMEN1KMT2AGAA
SCHEMBL9321291 0.79 TDP1 (0.45) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL16543607 0.79 MEN1 (0.34) CTSKMEN1KMT2AGAATDP1
SCHEMBL21202161 0.78 CTSS (0.32) CTSKCTSSMEN1KMT2A
SCHEMBL21202146 0.78 CTSS (0.32) CTSKCTSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110577-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-02-07 US disclosed
US-8110577-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-02-07 US disclosed
US-8110577-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-02-07 US disclosed
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-06-24 US disclosed
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-06-24 US disclosed
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-06-24 US disclosed
EP-2086950-A2 HISTONE DEACETYLASE INHIBITORS Queen Mary and Westfield College (GB) 2009-08-12 EP disclosed
WO-2008047138-A2 HISTONE DEACETYLASE INHIBITORS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-04-24 WO disclosed
WO-2008047138-A2 HISTONE DEACETYLASE INHIBITORS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-04-24 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-20100160392-A1 HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 CTSK 3813/4885CTSS 2241/4885MEN1 4680/4885

“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.