SCHEMBL4468498

SCHEMBL4468498

O=C(CCCCCCC(=O)Nc1ccc(CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1)NO

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.72
▸ CA1 P00915 16/20 0.72
▸ CA2 P00918 16/20 0.72
▸ CA12 O43570 8/20 0.72
▸ CA14 Q9ULX7 4/20 0.72
▸ CA7 P43166 2/20 0.62
▸ HDAC3 O15379 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ ESR1 P03372 1/20 0.53

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
SCHEMBL13970758 0.86 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL19818217 0.84 CA9 (0.77) CA9CA1CA2CA12CA14
SCHEMBL13070942 0.84 CA9 (1.00) CA9CA1CA2CA12CA14
SCHEMBL24444501 0.83 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.82 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.82 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL14164948 0.81 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL12678101 0.81 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL2742845 0.81 CA9 (0.58) CA9CA1CA2CA12CA14
SCHEMBL14642801 0.81 CA1 (0.67) CA9CA1CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 — — US claimed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 — — US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 — — US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 — — 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 (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-20090156825-A1 Fluorescent compounds that bind to histone deacetylase HDAC1, HDAC3, HDAC11 CA9 3944/4885CA1 2751/4885CA2 2969/4885

“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.

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