SCHEMBL8203640

SCHEMBL8203640

CC(C)COC(C)ONC(=O)c1cnc(N2CCC(NCc3ccc(CN[C@@H](CC(C)C)C(=O)OC4CCCC4)cc3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 10/20 0.39
MAPK14 Q16539 2/20 0.36
HDAC6 Q9UBN7 4/20 0.35
KDM1A O60341 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
NPR3 P17342 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
SCHEMBL13007256 0.90 DGAT2 (0.39) DGAT2HDAC6KDM1AHDAC3HDAC4
SCHEMBL3772993 0.89 HDAC1 (0.45) DGAT2HDAC6KDM1AHDAC3HDAC4
SCHEMBL3773002 0.89 HDAC1 (0.45) DGAT2HDAC6KDM1AHDAC3HDAC4
SCHEMBL8202007 0.89 DGAT2 (0.37) DGAT2HDAC6KDM1AHDAC3HDAC4
SCHEMBL8205770 0.87 DGAT2 (0.43) DGAT2MAPK14HDAC6MAPK13MAPK12
SCHEMBL8202087 0.83 HDAC6 (0.39) DGAT2HDAC6KDM1AHDAC3HDAC4
SCHEMBL8194298 0.83 DGAT2 (0.35) DGAT2HDAC6KDM1AHDAC3HDAC4
SCHEMBL8210058 0.79 HDAC6 (0.38) DGAT2HDAC6KDM1AHDAC3HDAC4
SCHEMBL8204399 0.79 HDAC6 (0.43) DGAT2HDAC6KDM1AHDAC3HDAC4
SCHEMBL8194372 0.78 ADRB2 (0.39) MAPK14HDAC3HDAC8NPR3

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
US-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
US-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 DGAT2 4057/4885MAPK14 3686/4885HDAC6 23/4885

“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.