SCHEMBL7046653

SCHEMBL7046653

CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2c(ccc3ccccc32)o1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.72
CTSL P07711 2/20 0.72
CTSB P07858 2/20 0.72
CTSS P25774 2/20 0.72
PSMB5 P28074 5/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PYGB P11216 1/20 0.37
GHSR Q92847 1/20 0.36
PRSS8 Q16651 1/20 0.36
TMPRSS11D O60235 1/20 0.36
CTRL P40313 1/20 0.36

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
SCHEMBL29669787 1.00 CTSK (0.72) CTSKCTSLCTSBCTSSPSMB5
SCHEMBL7048560 0.87 CTSS (0.82) CTSKCTSLCTSBCTSSPRSS8
SCHEMBL6463725 0.86 CTSS (0.82) CTSKCTSLCTSBCTSSPSMB5
SCHEMBL7046650 0.85 CTSS (0.81) CTSKCTSLCTSBCTSSPSMB5
SCHEMBL7112197 0.84 CTSL (1.00) CTSKCTSLCTSBCTSSPSMB5
SCHEMBL7045280 0.83 CTSS (1.00) CTSKCTSLCTSBCTSSPRSS8
SCHEMBL7045320 0.75 CTSS (0.64) CTSKCTSLCTSBCTSSPRSS8
SCHEMBL7042873 0.75 CTSS (0.64) CTSKCTSLCTSBCTSSPRSS8
Hydrochloric Acid SCHEMBL6064381 0.74 CTSS (0.63) CTSKCTSLCTSBCTSSPRSS8
SCHEMBL7136830 0.74 CTSK (0.59) CTSKCTSLCTSBCTSSPSMB5

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSK 32/4885CTSL 18/4885CTSB 11/4885

“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.