SCHEMBL13296509

SCHEMBL13296509

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C(C#N)=S1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.43
▸ CTSS P25774 2/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ PSMB9 P28065 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ GRB2 P62993 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL13296602 0.94 PTPN1 (0.43) PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL13296538 0.92 TLR2 (0.42) PTPN1CTSSTLR2TLR1CTSL
SCHEMBL13296611 0.86 TLR2 (0.42) PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL13296537 0.85 TLR2 (0.42) TLR2TLR1KMT2A
SCHEMBL13315051 0.85 TLR2 (0.42) TLR2TLR1KMT2A
SCHEMBL13315113 0.84 PTPN1 (0.43) PTPN1CTSSCTSLCTSBCTSK
SCHEMBL13296547 0.83 PTPN1 (0.42) PTPN1CTSSCTSLCTSBCTSK
SCHEMBL30545031 0.81 MDM2 (0.52) PTPN1TLR2TLR1KMT2A
SCHEMBL13296561 0.81 PTPN1 (0.43) PTPN1TLR2TLR1GRB2KMT2A
SCHEMBL12340097 0.81 KMT2A (0.48) PTPN1CTSSTLR2TLR1CTSL

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-7737293-B2 Amide forming chemical ligation REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-15 — — US disclosed
US-20090069536-A1 Amide Forming Chemical Ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-03-12 — — 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-20090069536-A1 Amide Forming Chemical Ligation CPS1, GLUL, PCCA PTPN1 4540/4885CTSS 2188/4885TLR2 4580/4885

“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.

Send feedback