SCHEMBL13315113

SCHEMBL13315113

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ HLA-DRB1 P01911 1/20 0.41
▸ TACR1 P25103 1/20 0.41

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
SCHEMBL13296511 0.92 CASP3 (0.41) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL13296527 0.92 PTPN1 (0.44) PTPN1
SCHEMBL13296539 0.91 CASP3 (0.43) —
SCHEMBL13315052 0.91 CASP3 (0.43) —
SCHEMBL13296547 0.88 PTPN1 (0.42) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL13296538 0.85 TLR2 (0.42) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL13296509 0.84 PTPN1 (0.43) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL13296517 0.83 SLC17A5 (0.40) PTPN1
SCHEMBL13296524 0.83 PTPN1 (0.42) PTPN1CTSS
SCHEMBL13296520 0.83 PTPN1 (0.42) PTPN1CTSLCTSK

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 4540/4885CTSL 2862/4885CTSB 2101/4885
US-20070060773-A1 Amide forming chemical ligation CPS1, GLUL, PCCA PTPN1 4540/4885CTSL 2862/4885CTSB 2101/4885

“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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