SCHEMBL7045971

SCHEMBL7045971

O=C(N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.64
CTSL P07711 7/20 0.64
CTSB P07858 4/20 0.64

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
SCHEMBL7043449 0.88 CTSS (0.63) CTSSCTSLCTSB
SCHEMBL7183373 0.87 CTSS (0.55) CTSSCTSLCTSB
SCHEMBL7109606 0.87 CTSS (0.48) CTSSCTSLCTSB
SCHEMBL7044867 0.87 CTSS (0.48) CTSSCTSLCTSB
SCHEMBL6063087 0.85 CTSS (0.64) CTSSCTSLCTSB
SCHEMBL7047934 0.85 CTSS (0.46) CTSSCTSLCTSB
SCHEMBL7042880 0.84 CTSS (0.47) CTSSCTSLCTSB
SCHEMBL6462892 0.84 CTSS (0.47) CTSSCTSLCTSB
SCHEMBL7591825 0.84 CTSS (0.47) CTSSCTSLCTSB
SCHEMBL7049025 0.84 CTSS (0.64) CTSSCTSLCTSB

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 CTSS 9/4885CTSL 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.