SCHEMBL4351945

SCHEMBL4351945

CC(C)C[C@H](NC(CCN(C(=O)CNC(=O)[C@@H](N)COCc1ccccc1)[C@@H](CC(C)C)C(=O)OC(C)(C)C)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.36
PSMB5 P28074 1/20 0.34
CTSS P25774 1/20 0.33
OPRD1 P41143 1/20 0.33
PPARA Q07869 1/20 0.33
TLR2 O60603 1/20 0.33

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
SCHEMBL4344615 0.89 PTPN1 (0.36) PTPN1CTSSPPARATLR2
SCHEMBL13613768 0.85 PTPN1 (0.36) PTPN1CTSS
SCHEMBL4356049 0.76 CTSS (0.39) PTPN1CTSSPPARA
SCHEMBL4356052 0.76 CTSS (0.39) PTPN1CTSSPPARA
SCHEMBL12880712 0.72 KLK7 (0.40) TLR2
SCHEMBL30844631 0.69 PPARA (0.55) CTSSPPARA
SCHEMBL28430224 0.69 PPARA (0.55) CTSSPPARA
SCHEMBL28430225 0.69 PPARA (0.55) CTSSPPARA
SCHEMBL2583829 0.69 PPARA (0.55) CTSSPPARA
SCHEMBL30416417 0.69 PPARA (0.55) CTSSPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 US disclosed
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 US disclosed
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 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-20090275727-A1 Peptide turn mimetics IAPP, GLP1R, VIP PTPN1 2158/4885PSMB5 1726/4885CTSS 1601/4885

“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.