SCHEMBL13296530

SCHEMBL13296530

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.37
▸ PTPN1 P18031 4/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ CASP3 P42574 2/20 0.35

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 0.88 TLR2 (0.42) MDM2
SCHEMBL13296537 0.88 TLR2 (0.42) MDM2
SCHEMBL13296518 0.85 FDFT1 (0.44) MDM2PTPN1CASP3
SCHEMBL13296524 0.84 PTPN1 (0.42) PTPN1CASP3
SCHEMBL13296520 0.84 PTPN1 (0.42) MDM2PTPN1
SCHEMBL13315052 0.83 CASP3 (0.43) CASP3
SCHEMBL13296539 0.83 CASP3 (0.43) CASP3
SCHEMBL13296511 0.83 CASP3 (0.41) PTPN1CASP3
SCHEMBL13296529 0.82 CASP3 (0.39) CASP3
SCHEMBL13296517 0.81 SLC17A5 (0.40) PTPN1CASP3

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 MDM2 1938/4885PTPN1 4540/4885BACE1 4312/4885
US-20070060773-A1 Amide forming chemical ligation CPS1, GLUL, PCCA MDM2 1938/4885PTPN1 4540/4885BACE1 4312/4885

“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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