SCHEMBL18103156

SCHEMBL18103156

NCCCC[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.55
▸ PTPN1 P18031 4/20 0.54
▸ KMT2A Q03164 1/20 0.52
▸ ACE P12821 1/20 0.49
▸ MDM2 Q00987 5/20 0.49
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ FOLH1 Q04609 1/20 0.47

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
SCHEMBL30586724 1.00 TLR2 (0.55) TLR2PTPN1KMT2AACEMDM2
SCHEMBL16726198 0.95 TLR2 (0.52) TLR2PTPN1KMT2AACEMDM2
SCHEMBL31212512 0.95 TLR2 (0.59) TLR2PTPN1KMT2AACEMDM2
SCHEMBL30099539 0.95 PTPN1 (0.57) TLR2PTPN1KMT2AACE
SCHEMBL12658035 0.92 PTPN1 (0.58) TLR2PTPN1KMT2AMDM2MDM4
SCHEMBL29602166 0.91 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29352159 0.91 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29514436 0.91 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL3624369 0.91 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29466503 0.91 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279272-A1 RESIDUALIZING LINKERS AND USES THEREOF CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION (CA) 2016-09-29 — — 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-20160279272-A1 RESIDUALIZING LINKERS AND USES THEREOF CD44, CD47, MTCL3 TLR2 2129/4885PTPN1 1980/4885KMT2A 1056/4885

“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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