SCHEMBL1053261

SCHEMBL1053261

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CCCCN)C(N)=S

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.34
GSR P00390 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RNPEP Q9H4A4 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
SCHEMBL6653557 0.89 CPB2 (0.36) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL17369161 0.85 CPB2 (0.39) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL7416589 0.85 CPB2 (0.42) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL1039473 0.85 CPB2 (0.42) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL2211497 0.85 CPB2 (0.42) CPB2GSRHDAC1HDAC2HDAC6
Ethylenediamine SCHEMBL17669758 0.84 CPB2 (0.41) CPB2GSRHDAC1HDAC2HDAC6
Ethylenediamine SCHEMBL17669759 0.84 CPB2 (0.41) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL6983943 0.84 CPB2 (0.35) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL6987450 0.84 CPB2 (0.35) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL1022347 0.80 CPB2 (0.40) CPB2GSRHDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007396-B1 Enfumafungin derivatives as antifungal agents MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
US-7863465-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2011-01-04 US disclosed
EP-2007396-A1 ANTIFUNGAL AGENTS Merck and Co., Inc. (US) 2008-12-31 EP disclosed
US-20080009504-A1 Antifungal agents SCYNEXIS, INC. 2008-01-10 US disclosed
WO-2007127012-A1 ANTIFUNGAL AGENTS MERCK & CO., INC. (US) 2007-11-08 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-20080009504-A1 Antifungal agents DPM1, MAN2B1, MAN2A1 CPB2 2422/4885GSR 1773/4885HDAC1 1302/4885

“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.