SCHEMBL7521877

SCHEMBL7521877

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OOCC(O)COOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSS P25774 2/20 0.49
CYP2D6 P10635 1/20 0.48
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
KLK5 Q9Y337 1/20 0.41
PREP P48147 1/20 0.40
TRPA1 O75762 2/20 0.40
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL3727156 0.86 CTSK (0.52) CTSKCTSSCYP2D6CA2CA1
SCHEMBL24469490 0.80 CTSK (0.51) CTSKCTSSCYP2D6CA2CA1
SCHEMBL7893209 0.79 CTSK (0.49) CTSKCTSSCYP2D6CA2CA1
SCHEMBL7888254 0.79 CTSK (0.49) CTSKCTSSCYP2D6CA2CA1
SCHEMBL3727425 0.79 CTSK (0.49) CTSKCTSSCYP2D6CA2CA1
SCHEMBL23260554 0.79 CTSK (0.57) CTSKCTSSCYP2D6CA2CA1
SCHEMBL16658566 0.78 CTSK (0.54) CTSKCTSSCYP2D6CA2CA1
SCHEMBL3180779 0.78 CTSK (0.54) CTSKCTSSCYP2D6CA2CA1
SCHEMBL17011363 0.78 CTSK (0.54) CTSKCTSSCYP2D6CA2CA1
SCHEMBL1515310 0.78 CTSK (0.54) CTSKCTSSCYP2D6CA2CA1

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-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 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-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CTSK 3753/4885CTSS 2072/4885CYP2D6 278/4885

“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.