SCHEMBL6843742

SCHEMBL6843742

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2cccc[n+]2[O-])C[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.48
CTSL P07711 11/20 0.48
CTSS P25774 9/20 0.48
CTSB P07858 4/20 0.48
UTS2R Q9UKP6 1/20 0.43
CTSV O60911 1/20 0.42
CASP1 P29466 2/20 0.36
CASP3 P42574 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL6596974 0.88 CTSK (0.55) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6214770 0.87 CTSK (0.59) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6843765 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6837068 0.83 SMN1; SMN2 (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6836885 0.81 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6213760 0.81 CTSK (0.48) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6841344 0.80 CTSK (0.39) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6836894 0.80 CTSK (0.49) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6402928 0.79 CTSK (0.46) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6842073 0.78 CTSL (0.39) CTSKCTSLCTSSCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSL 11/4885CTSS 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.