SCHEMBL5226822

SCHEMBL5226822

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
BACE1 P56817 5/20 0.44
NAMPT P43490 1/20 0.44
ACKR3 P25106 2/20 0.42
PTPN11 Q06124 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
GLS O94925 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL27601734 0.92 HDAC3 (0.43) MAPK8BACE1ACKR3PTPN11HDAC3
SCHEMBL20163022 0.90 HDAC2 (0.52) MAPK8BACE1ACKR3HDAC3HDAC2
SCHEMBL6202001 0.89 HDAC2 (0.54) MAPK8BACE1PTPN11HDAC3HDAC2
SCHEMBL5223801 0.89 MAPT (0.45) HDAC3HDAC2
SCHEMBL5225270 0.88 NPSR1 (0.46) HDAC3HDAC2
SCHEMBL20176406 0.86 GBA1 (0.45) BACE1HDAC3HDAC2HDAC1GPR119
SCHEMBL20163090 0.85 HDAC2 (0.53) MAPK8BACE1HDAC3HDAC2HDAC1
SCHEMBL20176429 0.85 HDAC3 (0.54) BACE1HDAC3HDAC2GPR119
SCHEMBL20176424 0.84 HDAC3 (0.55) MAPK8BACE1HDAC3HDAC2GPR119
SCHEMBL20176426 0.83 HDAC2 (0.55) MAPK8BACE1HDAC3HDAC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050222410-A1 Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 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-20050222410-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 MAPK8 3965/4885BACE1 2474/4885NAMPT 776/4885

“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.