SCHEMBL448747

SCHEMBL448747

C=C[CH]N(CC=C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL31496519 0.78 HDAC6 (0.32) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL25036963 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL2622073 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL956549 0.77 ALDH1A1 (0.42) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL28234844 0.76 HDAC6 (0.33) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL17162509 0.76 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL2754735 0.76 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL22604686 0.74 HDAC6 (0.36) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL1810981 0.74 HDAC6 (0.36) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL4928353 0.74 CA12 (0.34) HDAC6HDAC1HDAC2L3MBTL1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603829-B2 HSP90 inhibitors with modified toxicity THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-28 US claimed
EP-2190291-B1 HSP90 INHIBITORS WITH MODIFIED TOXICITY UNIV COLORADO REGENTS (US) 2015-10-14 EP claimed
US-20140315845-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2014-10-23 US claimed
US-8551964-B2 Hsp90 inhibitors with modified toxicity THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-10-08 US claimed
WO-2013074695-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-05-23 WO claimed
US-20120022011-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2012-01-26 US claimed
EP-2190291-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY The Regents of the University of Colorado (US) 2010-06-02 EP claimed
US-7608611-B2 Hsp90 inhibitors, methods of making and uses therefor THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-10-27 US claimed
EP-1863769-A4 HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR UNIV COLORADO (US) 2009-03-18 EP claimed
WO-2009026548-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-02-26 WO claimed
EP-1863769-A2 HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR The Board of Regents of the University of Colorado (US) 2007-12-12 EP claimed
WO-2006098761-A2 HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2006-09-21 WO claimed
US-20060205705-A1 Hsp90 inhibitors, methods of making and uses therefor UNIVERSITY OF COLORADO (US) 2006-09-14 US claimed
US-9676708-B2 Controlled HNO release through intramolecular cyclization-elimination THE JOHNS HOPKINS UNIVERSITY (US) 2017-06-13 US disclosed
US-9603829-B2 HSP90 inhibitors with modified toxicity THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-28 US disclosed
US-20150291519-A1 CONTROLLED HNO RELEASE THROUGH INTRAMOLECULAR CYCLIZATION-ELIMINATION NATIONAL SCIENCE FOUNDATION 2015-10-15 US disclosed
WO-2009026548-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-02-26 WO disclosed
EP-1863769-A2 HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR The Board of Regents of the University of Colorado (US) 2007-12-12 EP disclosed
WO-2006098761-A2 HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2006-09-21 WO disclosed
US-20060205705-A1 Hsp90 inhibitors, methods of making and uses therefor UNIVERSITY OF COLORADO (US) 2006-09-14 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 (4 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-20060205705-A1 Hsp90 inhibitors, methods of making and uses therefor HSP90AB1, HSP90B1, HSP90AA1 HDAC6 222/4885HDAC1 551/4885HDAC2 1223/4885
US-20120022011-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY HSP90AB1, HSP90B1, HSP90AA1 HDAC6 27/4885HDAC1 138/4885HDAC2 314/4885
US-20140315845-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY HSP90AB1, HSP90AA1, HSP90B1 HDAC6 24/4885HDAC1 362/4885HDAC2 432/4885
US-20150291519-A1 CONTROLLED HNO RELEASE THROUGH INTRAMOLECULAR CYCLIZATION-ELIMINATION APEH, HNMT, HAAO HDAC6 1180/4885HDAC1 2007/4885HDAC2 1403/4885

“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.