SCHEMBL18257538

SCHEMBL18257538

CNC(=O)CNC(=O)[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MDM4 O15151 1/20 0.45
TP53 P04637 1/20 0.45
TLR2 O60603 3/20 0.45
CASP3 P42574 1/20 0.45
FDFT1 P37268 1/20 0.43

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
SCHEMBL14787175 0.89 MDM4 (0.48) KMT2AMDM4TP53TLR2CASP3
SCHEMBL17446831 0.88 MDM4 (0.46) KMT2AMDM4TP53TLR2CASP3
SCHEMBL14787476 0.88 KMT2A (0.51) KMT2AMDM4TP53TLR2CASP3
SCHEMBL30554761 0.88 KMT2A (0.51) KMT2AMDM4TP53TLR2CASP3
SCHEMBL18257462 0.85 MDM4 (0.45) MDM4TP53TLR2CASP3
SCHEMBL18257466 0.85 MDM4 (0.45) MDM4TP53TLR2CASP3
SCHEMBL21510639 0.84 TLR2 (0.51) KMT2ATLR2
SCHEMBL17815268 0.83 TLR2 (0.52) TLR2FDFT1
SCHEMBL13993335 0.83 KMT2A (0.58) KMT2ACASP3
SCHEMBL17446719 0.82 PTPN1 (0.48) KMT2AMDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340391-A1 Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions BRISTOL MYERS SQUIBB CO (US) 2016-11-24 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 (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-20160340391-A1 Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions CD274, PDCD1, PDCD1LG2 KMT2A 2643/4885MDM4 550/4885TP53 100/4885

“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.