SCHEMBL2208709

SCHEMBL2208709

CC(C)(C)OC(=O)NN(C(=O)c1ccc(CP(C)(=O)OC2CCC2)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.42
GPR119 Q8TDV5 1/20 0.41
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 2/20 0.36
HDAC2 Q92769 3/20 0.35
HDAC3 O15379 1/20 0.34
SLC6A4 P31645 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL2205914 0.88 HDAC1 (0.54) HDAC1GPR119HDAC2HDAC3
SCHEMBL2207150 0.88 HDAC1 (0.42) HDAC1GPR119HDAC2
SCHEMBL2207954 0.84 HDAC1 (0.46) HDAC1GPR119DRD2DRD4HTR2A
SCHEMBL2208702 0.80 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL4580585 0.80 FFAR1 (0.50) HDAC1GPR119
SCHEMBL5767875 0.77 GPR119 (0.42) HDAC1GPR119HDAC2HDAC3
SCHEMBL4505385 0.76 GPR119 (0.41) HDAC1GPR119HDAC2HDAC3SLC6A4
SCHEMBL4578927 0.75 TNFRSF1A (0.46) HDAC1GPR119HDAC2HDAC3
SCHEMBL4518353 0.75 GPR119 (0.40) HDAC1GPR119HDAC2HDAC3
SCHEMBL2207945 0.74 HDAC1 (0.76) HDAC1HDAC2HDAC3

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 2 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 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 4/4885GPR119 2507/4885DRD2 4699/4885

“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.