Zinc Ion

Zinc Ion

SCHEMBL3337612

O=C(CCCCC(S)CCS)NCCS(=O)(=O)[O-].O=C(CCCCC(S)CCS)NCCS(=O)(=O)[O-].[Zn+2]

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
HDAC3 O15379 6/20 0.34
HDAC4 P56524 6/20 0.34
HDAC1 Q13547 6/20 0.34
HDAC7 Q8WUI4 6/20 0.34
HDAC2 Q92769 6/20 0.34
HDAC10 Q969S8 6/20 0.34
HDAC11 Q96DB2 6/20 0.34
HDAC8 Q9BY41 6/20 0.34
HDAC6 Q9UBN7 6/20 0.34
HDAC9 Q9UKV0 6/20 0.34
HDAC5 Q9UQL6 6/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DNM1 Q05193 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
Zinc Ion SCHEMBL2577648 0.99 CA9 (0.37) CA9CA12HDAC3HDAC4HDAC1
Potassium Ion SCHEMBL3277551 0.97 CA9 (0.38) CA9CA12HDAC3HDAC4HDAC1
SCHEMBL3278903 0.97 CA9 (0.40) CA9CA12HDAC3HDAC4HDAC1
SCHEMBL2577651 0.86 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3277552 0.84 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3338583 0.84 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3278907 0.84 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
Zinc Ion SCHEMBL2581231 0.80 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
Zinc Ion SCHEMBL3337795 0.80 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2580669 0.79 FAAH (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF SENJU PHARMACEUTICAL CO. LTD. (JP) 2010-06-17 US claimed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP claimed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP 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-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO CA9 416/4885CA12 1916/4885HDAC3 4462/4885

“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.