SCHEMBL16330568

SCHEMBL16330568

CCCN(CCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ KIF11 P52732 9/20 0.39
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL12917528 0.90 KIF11 (0.46) KIF11
SCHEMBL17493273 0.87 CA14 (0.41) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL26616743 0.84 ACHE (0.43) KIF11
SCHEMBL18291881 0.84 CA14 (0.41) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL16141285 0.83 CA14 (0.45) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL14708941 0.83 CA14 (0.45) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL12917526 0.82 CA14 (0.39) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL14709092 0.81 CA14 (0.38) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL45876 0.80 MEN1 (0.41) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL26616674 0.79 ALDH1A1 (0.38) HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183616-A1 LONG ACTING INSULIN COMPOSITION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-19 — — 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-20120183616-A1 LONG ACTING INSULIN COMPOSITION IAPP, INSR, GPR119 HDAC3 3334/4885HDAC1 3873/4885HDAC2 4453/4885

“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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