SCHEMBL6078616

SCHEMBL6078616

CC(C)(C)OC(=O)OOCI

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ELANE P08246 1/20 0.33
DGAT1 O75907 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL6009266 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL24003597 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL223013 0.77 DGAT1 (0.42) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL304157 0.76 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL739320 0.76 HDAC6 (0.33) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL25285653 0.76 HDAC6 (0.33) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL6936082 0.72 HDAC6 (0.33) HDAC6HDAC1HDAC2ELANE
SCHEMBL22129786 0.72 ELANE (0.39) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL29121 0.71 DGAT1 (0.46) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL17727759 0.70 HDAC6 (0.38) HDAC6HDAC1HDAC2ELANEDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 US disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 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-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 HDAC6 1747/4885HDAC1 175/4885HDAC2 421/4885

“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.