SCHEMBL16048760

SCHEMBL16048760

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.51
▸ MDM2 Q00987 1/20 0.44
▸ TLR1 Q15399 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL16048758 1.00 TLR2 (0.51) TLR2MDM2TLR1KMT2AMDM4
SCHEMBL27153081 0.94 TLR2 (0.50) TLR2MDM2KMT2AMDM4TP53
SCHEMBL30771460 0.94 TLR2 (0.50) TLR2MDM2KMT2AMDM4TP53
SCHEMBL30771405 0.94 TLR2 (0.50) TLR2MDM2KMT2AMDM4TP53
SCHEMBL31296168 0.94 TLR2 (0.50) TLR2MDM2KMT2AMDM4TP53
SCHEMBL23447164 0.94 TLR2 (0.52) TLR2MDM2MDM4TP53BCHE
SCHEMBL30771499 0.94 TLR2 (0.50) TLR2MDM2KMT2AMDM4TP53
SCHEMBL16112812 0.94 TLR2 (0.58) TLR2MDM2TLR1KMT2AMDM4
SCHEMBL12231705 0.94 TLR2 (0.50) TLR2MDM2TLR1KMT2AMDM4
SCHEMBL30973621 0.94 TLR2 (0.50) TLR2MDM2TLR1KMT2AMDM4

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-20160235858-A1 LIGAND-THERAPEUTIC AGENT CONJUGATES, SILICON-BASED LINKERS, AND METHODS FOR MAKING AND USING THEM ALBANY MOLECULAR RES INC (US) 2016-08-18 — — US disclosed
US-9352049-B2 Ligand-therapeutic agent conjugates, silicon-based linkers, and methods for making and using them ALBANY MOLECULAR RESEARCH, INC. (US) 2016-05-31 — — US disclosed
EP-2968599-A1 LIGAND-THERAPEUTIC AGENT CONJUGATES AND SILICON-BASED LINKERS Albany Molecular Research, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160305-A1 LIGAND-THERAPEUTIC AGENT CONJUGATES AND SILICON-BASED LINKERS ALBANY MOLECULAR RESEARCH, INC. (US) 2014-10-02 — — WO disclosed
US-20140274951-A1 LIGAND-THERAPEUTIC AGENT CONJUGATES, SILICON-BASED LINKERS, AND METHODS FOR MAKING AND USING THEM ALBANY MOLECULAR RESEARCH, INC. (US) 2014-09-18 — — US 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 (2 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-20140274951-A1 LIGAND-THERAPEUTIC AGENT CONJUGATES, SILICON-BASED LINKERS, AND METHODS FOR MAKING AND USING THEM CD44, CD47, SELPLG TLR2 827/4885MDM2 2105/4885TLR1 938/4885
US-20160235858-A1 LIGAND-THERAPEUTIC AGENT CONJUGATES, SILICON-BASED LINKERS, AND METHODS FOR MAKING AND USING THEM CD44, CD47, SELPLG TLR2 827/4885MDM2 2105/4885TLR1 938/4885

“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.

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