SCHEMBL13296537

SCHEMBL13296537

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ MDM2 Q00987 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ CXCR3 P49682 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13315051 1.00 TLR2 (0.42) TLR2TLR1MDM2KMT2ACXCR3
SCHEMBL13296538 0.92 TLR2 (0.42) TLR2TLR1MDM2KMT2A
SCHEMBL13296530 0.88 MDM2 (0.37) MDM2
SCHEMBL13296558 0.86 KMT2A (0.48) TLR2TLR1MDM2KMT2ANPSR1
SCHEMBL13296509 0.85 PTPN1 (0.43) TLR2TLR1KMT2A
SCHEMBL13296611 0.85 TLR2 (0.42) TLR2TLR1MDM2KMT2A
SCHEMBL13315052 0.84 CASP3 (0.43) KMT2A
SCHEMBL13296539 0.84 CASP3 (0.43) KMT2A
SCHEMBL13296518 0.83 FDFT1 (0.44) MDM2
SCHEMBL13296524 0.83 PTPN1 (0.42) —

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-7737293-B2 Amide forming chemical ligation REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-15 — — US disclosed
US-7667076-B2 Amide forming chemical ligation REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-23 — — US disclosed
US-20090069536-A1 Amide Forming Chemical Ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-03-12 — — US disclosed
US-20070060773-A1 Amide forming chemical ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-03-15 — — 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 (2 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 TLR2 4580/4885TLR1 3825/4885MDM2 1938/4885
US-20070060773-A1 Amide forming chemical ligation CPS1, GLUL, PCCA TLR2 4580/4885TLR1 3825/4885MDM2 1938/4885

“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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