SCHEMBL13296501

SCHEMBL13296501

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.54
▸ BACE2 Q9Y5Z0 3/20 0.50
▸ CTSD P07339 2/20 0.50
▸ MMP2 P08253 1/20 0.49

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
SCHEMBL30609958 0.96 BACE1 (0.51) BACE1BACE2CTSDMMP2
SCHEMBL30609969 0.96 BACE1 (0.51) BACE1BACE2CTSDMMP2
SCHEMBL30799335 0.94 MMP2 (0.55) BACE1CTSDMMP2
SCHEMBL30118074 0.93 MMP2 (0.56) BACE1BACE2CTSDMMP2
SCHEMBL31181273 0.92 BACE1 (0.54) BACE1BACE2
SCHEMBL31018950 0.92 MMP2 (0.57) BACE1BACE2CTSDMMP2
SCHEMBL31730257 0.90 BACE1 (0.61) BACE1CTSDMMP2
SCHEMBL31554972 0.90 MMP2 (0.56) BACE1MMP2
SCHEMBL30497073 0.90 MMP2 (0.56) BACE1MMP2
SCHEMBL30974003 0.90 MMP2 (0.58) BACE1BACE2CTSDMMP2

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 8 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-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-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-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
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 BACE1 4312/4885BACE2 4606/4885CTSD 2996/4885
US-20070060773-A1 Amide forming chemical ligation CPS1, GLUL, PCCA BACE1 4312/4885BACE2 4606/4885CTSD 2996/4885

“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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