SCHEMBL3663415

SCHEMBL3663415

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)C(=O)C=[N+]=[N-]

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.53
▸ CTSL P07711 6/20 0.53
▸ CTSB P07858 5/20 0.53
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ CAPN1 P07384 2/20 0.52
▸ CASP3 P42574 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ TACR1 P25103 2/20 0.50
▸ REN P00797 1/20 0.50

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
SCHEMBL1037693 0.96 CTSL (0.57) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL16323443 0.96 CTSL (0.57) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL16323306 0.96 CTSL (0.57) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL16322478 0.96 CTSL (0.57) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL6272041 0.90 CTSL (0.55) CASP1CTSLCTSBCTSSCTSK
SCHEMBL16321202 0.87 CAPN1 (0.58) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL1038643 0.87 CAPN1 (0.58) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL9556498 0.87 CAPN1 (0.58) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL16322884 0.87 CAPN1 (0.58) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL16322231 0.87 CAPN1 (0.58) CTSLCTSBCTSSCTSKCAPN1

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-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
EP-2237793-A1 INHIBITORS OF CATHEPSIN B Virobay, Inc. (US) 2010-10-13 — — EP disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — WO disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — 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 (1 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-20090203629-A1 INHIBITORS OF CATHEPSIN B CTSB, CSTB, CTSF CASP1 690/4885CTSL 12/4885CTSB 1/4885

“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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