SCHEMBL2209991

SCHEMBL2209991

CCOP(=O)(O)C(O)c1ccc(C(=O)N(N)c2cccc(-c3cccs3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.43
KCNH2 Q12809 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CETP P11597 1/20 0.36
PSMB5 P28074 1/20 0.35

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
SCHEMBL2210374 0.91 HDAC1 (0.43) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL2210468 0.90 HDAC1 (0.45) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL2210455 0.88 ALDH1A1 (0.47) HDAC1KCNH2CETP
SCHEMBL2209435 0.85 GAA (0.34)
SCHEMBL2209254 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC8
SCHEMBL2209278 0.81 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC8
SCHEMBL2209384 0.81 HDAC1 (0.45) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL2206396 0.77 HDAC1 (0.49) HDAC1HDAC2
SCHEMBL2211686 0.77 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8PSMB5
SCHEMBL1066509 0.76 HDAC3 (0.41) HDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US claimed
JP-2009544611-A 2009-12-17 JP claimed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US claimed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP claimed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO claimed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN HDAC1 4/4885KCNH2 2991/4885HDAC3 17/4885

“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.