SCHEMBL13296546

SCHEMBL13296546

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.50
▸ CASP3 P42574 4/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ CAPN1 P07384 1/20 0.45

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
SCHEMBL13314881 1.00 PTPN1 (0.50) PTPN1CASP3KMT2ACAPN1
SCHEMBL13314878 0.89 PTPN1 (0.46) PTPN1CASP3KMT2A
SCHEMBL30337038 0.86 CASP3 (0.54) PTPN1CASP3KMT2A
SCHEMBL13296527 0.86 PTPN1 (0.44) PTPN1CASP3KMT2A
SCHEMBL30656526 0.85 PTPN1 (0.58) PTPN1CASP3KMT2A
SCHEMBL30366747 0.85 CASP3 (0.54) PTPN1CASP3KMT2A
SCHEMBL29991993 0.85 CASP3 (0.54) PTPN1CASP3KMT2A
SCHEMBL20415092 0.85 CASP3 (0.49) PTPN1CASP3
SCHEMBL25329244 0.83 CASP3 (0.50) PTPN1CASP3
SCHEMBL25329241 0.83 CASP3 (0.50) 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 PTPN1 4540/4885CASP3 4251/4885KMT2A 151/4885
US-20070060773-A1 Amide forming chemical ligation CPS1, GLUL, PCCA PTPN1 4540/4885CASP3 4251/4885KMT2A 151/4885

“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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