SCHEMBL2310591

SCHEMBL2310591

CC(C)(O)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.80
CTSB P07858 7/20 0.80
CTSK P43235 5/20 0.79
CTSS P25774 5/20 0.79
CTSH P09668 2/20 0.79
CTSC P53634 2/20 0.79

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
SCHEMBL2310594 1.00 CTSL (0.80) CTSLCTSBCTSKCTSSCTSH
SCHEMBL2310597 1.00 CTSL (0.80) CTSLCTSBCTSKCTSSCTSH
SCHEMBL12433398 0.91 CTSL (0.75) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7349448 0.89 CTSL (1.00) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7349443 0.89 CTSL (1.00) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7355588 0.89 CTSL (1.00) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7355581 0.89 CTSL (1.00) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7349450 0.89 CTSL (1.00) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7352989 0.88 CTSL (1.00) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7352997 0.88 CTSL (1.00) CTSLCTSBCTSKCTSSCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618096-B2 Prodrug compositions and methods for using the same in treating cancer and malaria THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-12-31 US disclosed
US-20110190291-A1 Prodrug and Fluoregenic Compositions and Methods for Using the Same REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2011-08-04 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-20110190291-A1 Prodrug and Fluoregenic Compositions and Methods for Using the Same SLC19A1, SLC46A1, TFRC CTSL 449/4885CTSB 467/4885CTSK 1182/4885

“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.