SCHEMBL30099539

SCHEMBL30099539

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.57
▸ TLR2 O60603 2/20 0.51
▸ ACE P12821 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ GRB2 P62993 1/20 0.48
▸ KMT2A Q03164 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
SCHEMBL20759079 0.96 TLR2 (0.55) PTPN1TLR2ACEECE1
SCHEMBL20758846 0.96 TLR2 (0.55) PTPN1TLR2ACEECE1
SCHEMBL31566096 0.96 TLR2 (0.55) PTPN1TLR2ACEECE1
SCHEMBL20758974 0.96 TLR2 (0.55) PTPN1TLR2ACEECE1
SCHEMBL30193301 0.95 TLR2 (0.53) PTPN1TLR2ECE1
SCHEMBL30586724 0.95 TLR2 (0.55) PTPN1TLR2ACEKMT2A
SCHEMBL30150290 0.95 TLR2 (0.53) PTPN1TLR2ECE1
SCHEMBL18103156 0.95 TLR2 (0.55) PTPN1TLR2ACEKMT2A
SCHEMBL30598967 0.93 TLR2 (0.55) PTPN1TLR2ECE1
SCHEMBL29650794 0.92 PTPN1 (0.60) PTPN1TLR2ECE1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US claimed
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US disclosed
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO disclosed
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