SCHEMBL1224323

SCHEMBL1224323

COc1ccc2nccc(N3CCCC(NC(=O)OC(C)(C)C)C3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.58
PDE10A Q9Y233 2/20 0.51
CYP8B1 Q9UNU6 1/20 0.49
BTK Q06187 3/20 0.48
JAK3 P52333 2/20 0.48
SYK P43405 1/20 0.44
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
AURKA O14965 3/20 0.42
PDPK1 O15530 3/20 0.42
AURKB Q96GD4 3/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MET P08581 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL3665467 1.00 MAP4K4 (0.58) MAP4K4PDE10ACYP8B1BTKJAK3
SCHEMBL1224777 0.94 MAP4K4 (0.51) MAP4K4PDE10ACYP8B1SYKPIM1
SCHEMBL1224773 0.94 MAP4K4 (0.51) MAP4K4PDE10ACYP8B1SYKPIM1
SCHEMBL17861337 0.90 CKS1B (0.48) MAP4K4PDE10ACYP8B1PIM1PIM3
SCHEMBL10078588 0.84 CYP8B1 (0.44) MAP4K4PDE10ACYP8B1KCNH2
SCHEMBL1222880 0.81 CYP8B1 (0.48) CYP8B1
SCHEMBL13527141 0.79 CYP8B1 (0.48) MAP4K4CYP8B1KCNH2
SCHEMBL4069637 0.79 SIRT2 (0.47) CYP8B1KCNH2
SCHEMBL2185107 0.79 MAP4K4 (0.52) MAP4K4PDE10ABTKJAK3SYK
SCHEMBL2185110 0.79 MAP4K4 (0.52) MAP4K4PDE10ABTKJAK3SYK

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
EP-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 EP disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 MAP4K4 4384/4885PDE10A 2170/4885CYP8B1 902/4885

“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.