SCHEMBL6449419

SCHEMBL6449419

C=C(C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 10/20 0.67
CTSL P07711 9/20 0.67
CTSS P25774 12/20 0.61
CTSK P43235 3/20 0.57
CTSH P09668 1/20 0.55
CTSC P53634 1/20 0.55

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
SCHEMBL6450588 0.96 CTSB (0.62) CTSBCTSLCTSSCTSKCTSH
SCHEMBL6448138 0.91 CTSS (0.69) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7106329 0.90 CTSB (0.57) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7106325 0.90 CTSB (0.57) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7107299 0.87 CTSB (0.55) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7107295 0.87 CTSB (0.55) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7415887 0.87 CTSB (0.55) CTSBCTSLCTSSCTSKCTSH
SCHEMBL6452048 0.86 CTSB (0.58) CTSBCTSLCTSSCTSKCTSH
SCHEMBL6452052 0.86 CTSB (0.58) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7414216 0.82 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US claimed
WO-2013036766-A1 SMALL MOLECULE NAPHTHOQUINONE- AND PHTHALIMIDE-BASED LIPOCATIONS AS ANTI-PARASITIC AGENTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-03-14 WO disclosed
WO-2005107470-A2 USE OF CARBONIC ANHYDRASE INHIBITORS FOR INSECT CONTROL AND MALARIA TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-11-17 WO disclosed
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO disclosed
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 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-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections CAT, CTSA, CTRL CTSB 6/4885CTSL 26/4885CTSS 5/4885

“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.