SCHEMBL2853534

SCHEMBL2853534

CC(C)(C)OC(=O)NCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.45
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
BACE1 P56817 1/20 0.43
MDM4 O15151 2/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 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
SCHEMBL2853531 1.00 MDM2 (0.45) MDM2TLR2TLR1BACE1MDM4
SCHEMBL956359 0.89 BACE1 (0.47) MDM2TLR2TLR1BACE1MDM4
SCHEMBL956361 0.89 BACE1 (0.47) MDM2TLR2TLR1BACE1MDM4
SCHEMBL4912763 0.88 ITGB3 (0.50) MDM2TLR2TLR1BACE1KMT2A
SCHEMBL13702142 0.88 TLR2 (0.53) MDM2TLR2TLR1BACE1KMT2A
SCHEMBL24633804 0.87 BACE1 (0.44) MDM2BACE1MDM4TP53
SCHEMBL4915026 0.86 TLR2 (0.47) MDM2TLR2TLR1BACE1MDM4
SCHEMBL4906558 0.84 TLR2 (0.47) MDM2TLR2TLR1BACE1KMT2A
SCHEMBL29383813 0.83 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL14039221 0.83 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A

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
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 MDM2 957/4885TLR2 4251/4885TLR1 4200/4885

“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.