SCHEMBL6764338

SCHEMBL6764338

CC(C)CC(NC(=O)c1ccc(F)cc1)C(=O)NC1CCCN(C(=O)c2ccccc2I)CC1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
CTSL P07711 2/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
CASP1 P29466 2/20 0.40
CASP3 P42574 1/20 0.40
CAPN1 P07384 3/20 0.40
KDM1A O60341 2/20 0.39
UTS2R Q9UKP6 1/20 0.38
KMT2A Q03164 2/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL5096679 0.89 CTSK (0.51) CTSKCTSLTAOK1TAOK3CASP1
SCHEMBL5096684 0.89 CTSK (0.51) CTSKCTSLTAOK1TAOK3CASP1
SCHEMBL6761955 0.84 CTSK (0.52) CTSKCTSLTAOK1TAOK3
SCHEMBL6771594 0.83 CTSK (0.52) CTSKCTSLKMT2A
SCHEMBL6578042 0.80 CTSK (0.54) CTSKCTSLTAOK1TAOK3CASP1
SCHEMBL5099268 0.75 CTSK (0.41) CTSKCTSLTAOK1TAOK3CASP1
SCHEMBL6578118 0.74 CTSK (0.51) CTSKCTSLTAOK1TAOK3CASP1
SCHEMBL5092831 0.73 CTSK (0.57) CTSKCTSLKMT2A
SCHEMBL6577927 0.73 CASP1 (0.59) CTSKCASP1CASP3CAPN1UTS2R
SCHEMBL5099344 0.73 CTSK (0.57) CTSKCTSLTAOK1TAOK3

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-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 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-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885TAOK1 2588/4885

“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.