SCHEMBL13225950

SCHEMBL13225950

CNCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MDM2 Q00987 2/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CASP3 P42574 1/20 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
SCHEMBL14770861 0.90 MDM2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL13495919 0.90 KMT2A (0.61) TLR2KMT2AMDM2MDM4TP53
SCHEMBL15305865 0.90 KMT2A (0.50) TLR2KMT2AMDM2MDM4TP53
SCHEMBL14147622 0.90 MDM2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL17919592 0.90 KMT2A (0.61) TLR2KMT2AMDM2MDM4TP53
SCHEMBL19130178 0.90 KMT2A (0.50) TLR2KMT2AMDM2MDM4TP53
SCHEMBL30265401 0.89 KMT2A (0.53) TLR2KMT2AMDM2PTPN1
SCHEMBL18474877 0.89 KMT2A (0.49) TLR2KMT2AMDM2MDM4TP53
Hydrochloric Acid SCHEMBL30744256 0.89 MDM2 (0.56) TLR2KMT2AMDM2MDM4TP53
SCHEMBL13452073 0.88 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197891-A1 METHOD FOR PEPTIDE SYNTHESIS LONZA AG (CH) 2010-08-05 — — US disclosed
WO-2008040536-A1 METHOD FOR PEPTIDE SYNTHESIS LONZA AG (CH) 2008-04-10 — — 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-20100197891-A1 METHOD FOR PEPTIDE SYNTHESIS DNPEP, NGLY1, PTMS TLR2 4602/4885KMT2A 3121/4885MDM2 1534/4885

“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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