SCHEMBL7378602

SCHEMBL7378602

C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)C(=O)CF)N(C(=O)N1CCOCC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.45
CTSB P07858 5/20 0.42
CTSL P07711 4/20 0.42
CTSK P43235 3/20 0.42
CTSH P09668 1/20 0.42
CTSC P53634 1/20 0.42
TMPRSS11D O60235 1/20 0.41
CTRL P40313 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PSMB5 P28074 5/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMD11 O00231 1/20 0.41
PSMD12 O00232 1/20 0.41
PSMD14 O00487 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMD3 O43242 1/20 0.41
CYP3A4 P08684 1/20 0.41
PSMC3 P17980 1/20 0.41
PSMB1 P20618 1/20 0.41

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
SCHEMBL7028324 0.81 CTSL (0.51) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6448550 0.79 CTSS (0.67) CTSSCTSBCTSLCTSKCTSH
SCHEMBL8690335 0.78 CTSS (0.46) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7545314 0.77 CTSS (0.62) CTSSCTSBCTSLCTSC
SCHEMBL7412388 0.76 CTSS (0.42) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7546891 0.72 CTSS (0.60) CTSSCTSBCTSLCTSCALDH1A1
SCHEMBL6450679 0.72 CTSB (0.38) CTSSCTSBCTSLCTSKCTSH
SCHEMBL30747838 0.72 CTSS (0.68) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7445245 0.72 ALDH1A1 (0.57) ALDH1A1CYP3A4
SCHEMBL7413210 0.71 CTSL (0.57) CTSSCTSBCTSLCTSKCTSH

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-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US claimed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 WO claimed

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 5/4885CTSB 6/4885CTSL 26/4885

“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.