SCHEMBL5222728

SCHEMBL5222728

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.56
GPR119 Q8TDV5 9/20 0.50
MAPK8 P45983 1/20 0.48
HDAC1 Q13547 2/20 0.48
ACHE P22303 2/20 0.48
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 2/20 0.45

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
SCHEMBL5222544 0.82 MEN1 (0.56) PTPN11GPR119MAPK8HDAC1CKS1B
SCHEMBL23560892 0.81 GPR119 (0.56) PTPN11GPR119ACHECKS1BSKP1
SCHEMBL5222720 0.81 HDAC1 (0.48) PTPN11HDAC1
SCHEMBL16652717 0.79 GPR119 (0.59) PTPN11GPR119ACHECKS1BSKP1
SCHEMBL16651654 0.79 PTPN11 (0.57) PTPN11GPR119ACHECKS1BSKP1
SCHEMBL3607189 0.77 GPR119 (0.57) PTPN11GPR119ACHECKS1BSKP1
SCHEMBL5226822 0.77 MAPK8 (0.46) PTPN11GPR119MAPK8HDAC1CKS1B
SCHEMBL20333119 0.77 SUCNR1 (0.49) MAPK8HDAC1MAPTMEN1KMT2A
SCHEMBL16651862 0.77 PTPN11 (0.55) PTPN11GPR119ACHECKS1BSKP1
SCHEMBL24269707 0.77 PTPN11 (0.55) PTPN11GPR119ACHECKS1BSKP1

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 PTPN11 4127/4885GPR119 1395/4885MAPK8 3965/4885

“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.