SCHEMBL12371628

SCHEMBL12371628

O=C(COC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.61
CTSL P07711 6/20 0.57
CTSK P43235 2/20 0.57
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
HDAC8 Q9BY41 1/20 0.51
CA4 P22748 1/20 0.51
CA1 P00915 1/20 0.51
NMBR P28336 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
SCHEMBL12371630 0.89 TACR1 (0.64) TACR1CTSLCTSKCTSBCTSS
SCHEMBL12370618 0.88 CTSS (0.58) CTSLCTSKCTSBCTSSHDAC8
SCHEMBL13073498 0.86 CTSL (0.71) TACR1CTSLCTSKCTSBCTSS
SCHEMBL7764124 0.86 CTSL (0.71) TACR1CTSLCTSKCTSBCTSS
SCHEMBL4655258 0.82 TACR1 (0.78) TACR1CTSLCTSKCTSBCTSS
SCHEMBL17643540 0.80 CTSL (0.76) TACR1CTSLCTSKCTSBCTSS
SCHEMBL9113871 0.78 CTSL (0.73) TACR1CTSLCTSKCTSBCTSS
SCHEMBL10805328 0.77 CTSL (0.59) TACR1CTSLCTSKCTSBCTSS
SCHEMBL4070768 0.77 CTSL (0.76) TACR1CTSLCTSKCTSBCTSS
SCHEMBL25699716 0.77 TACR1 (0.70) TACR1CTSLCTSKCTSBCTSS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-25 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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV TACR1 679/4885CTSL 7/4885CTSK 11/4885

“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.