SCHEMBL7112197

SCHEMBL7112197

CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(C(C)(C)C)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 1.00
CTSB P07858 3/20 1.00
CTSS P25774 3/20 1.00
CTSK P43235 2/20 1.00
PRSS8 Q16651 2/20 0.39
PSMB5 P28074 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP3A7 P24462 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6463725 0.90 CTSS (0.82) CTSLCTSBCTSSCTSKPRSS8
SCHEMBL7048560 0.90 CTSS (0.82) CTSLCTSBCTSSCTSKPRSS8
SCHEMBL7046650 0.90 CTSS (0.81) CTSLCTSBCTSSCTSKPRSS8
SCHEMBL7045280 0.87 CTSS (1.00) CTSLCTSBCTSSCTSKPRSS8
SCHEMBL7046653 0.84 CTSK (0.72) CTSLCTSBCTSSCTSKPRSS8
SCHEMBL29669787 0.84 CTSK (0.72) CTSLCTSBCTSSCTSKPRSS8
SCHEMBL7042873 0.78 CTSS (0.64) CTSLCTSBCTSSCTSKPRSS8
SCHEMBL7045320 0.78 CTSS (0.64) CTSLCTSBCTSSCTSKPRSS8
Hydrochloric Acid SCHEMBL6064381 0.78 CTSS (0.63) CTSLCTSBCTSSCTSKPRSS8
SCHEMBL7136830 0.75 CTSK (0.59) CTSLCTSBCTSSCTSKPSMB5

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 CTSL 18/4885CTSB 11/4885CTSS 9/4885

“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.