SCHEMBL6512974

SCHEMBL6512974

CC(C)(C)OC(=O)C(ON)C(=O)N(CCSSCCN)C(=O)C(ON)C(=O)OC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL29139788 0.76 TSHR (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19133186 0.69 TSHR (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3316077 0.69 PTGS1 (0.36)
SCHEMBL3316071 0.69 PTGS1 (0.36)
SCHEMBL8579190 0.69 TSHR (0.43)
SCHEMBL20572459 0.68
SCHEMBL6512969 0.68 CA12 (0.32)
Hydrochloric Acid SCHEMBL21591936 0.67 MAPT (0.46)
SCHEMBL4986712 0.67 HDAC6 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30846825 0.66 TSHR (0.40)

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
US-20050025740-A1 Polyoxime compounds and their preparation AMYLIN PHARMACEUTICALS, INC. 2005-02-03 US disclosed
US-6663869-B1 Linkages between polypeptide organic molecules are oxime linkages formed by reaction of a keto, aldehyde or amino-oxy group on the amino acid GRYPHON THERAPEUTICS, INC. 2003-12-16 US disclosed
US-6217873-B1 HOMOGENEOUS; MEDICAL DIAGNOSIS GRYPHON SCIENCES 2001-04-17 US disclosed
EP-0697891-B1 POLYOXIME COMPOUNDS AND THEIR PREPARATION ROSE KEITH (CH) 2000-03-29 EP disclosed
EP-0697891-A1 POLYOXIME COMPOUNDS AND THEIR PREPARATION Rose, Keith (CH) 1996-02-28 EP disclosed
WO-1994025071-A1 POLYOXIME COMPOUNDS AND THEIR PREPARATION ROSE KEITH (CH) 1994-11-10 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-20050025740-A1 Polyoxime compounds and their preparation PCBP1, PAM, OGFOD1 HDAC3 4759/4885HDAC1 4817/4885HDAC2 4457/4885

“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.