SCHEMBL6448550

SCHEMBL6448550

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.67
CTSL P07711 9/20 0.62
CTSB P07858 8/20 0.62
CTSK P43235 3/20 0.52
CTSH P09668 1/20 0.51
CTSC P53634 1/20 0.51

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
SCHEMBL14491127 0.90 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
SCHEMBL5181737 0.90 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
SCHEMBL29946200 0.90 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6449419 0.82 CTSB (0.67) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7031248 0.81 CTSL (0.77) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7031241 0.81 CTSL (0.77) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7026935 0.81 CTSL (0.77) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7411039 0.80 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7411037 0.80 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7411052 0.80 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH

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-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
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 CTSS 5/4885CTSL 26/4885CTSB 6/4885

“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.