SCHEMBL6450685

SCHEMBL6450685

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C=CS(=O)(=O)c1ccccc1)N(C(=O)N1CCOCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.44
CTSL P07711 7/20 0.44
CTSK P43235 5/20 0.44
CTSS P25774 5/20 0.44
CTSH P09668 1/20 0.44
CTSC P53634 1/20 0.44
USP2 O75604 1/20 0.35
ALDH1A1 P00352 2/20 0.34
F2 P00734 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL6450679 0.85 CTSB (0.38) CTSBCTSLCTSKCTSSCTSH
SCHEMBL7106335 0.80 CTSB (0.66) CTSBCTSLCTSKCTSSCTSH
SCHEMBL8690335 0.71 CTSS (0.46) CTSBCTSLCTSKCTSSCTSH
SCHEMBL5055000 0.70 ERAP2 (0.45) MMP2MMP9
SCHEMBL7358325 0.70 CTSL (0.62) CTSBCTSLCTSKCTSSCTSH
SCHEMBL7358322 0.70 CTSL (0.62) CTSBCTSLCTSKCTSSCTSH
SCHEMBL7358323 0.70 CTSL (0.62) CTSBCTSLCTSKCTSSCTSH
SCHEMBL7378602 0.70 CTSS (0.45) CTSBCTSLCTSKCTSSCTSH
SCHEMBL7028324 0.69 CTSL (0.51) CTSBCTSLCTSKCTSSCTSH
SCHEMBL16455199 0.69 KMT2A (0.49) CTSBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSB 6/4885CTSL 26/4885CTSK 17/4885

“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.