SCHEMBL7042880

SCHEMBL7042880

O=C(N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.47
CTSB P07858 7/20 0.46
CTSL P07711 7/20 0.46
CTSK P43235 2/20 0.44
CTSH P09668 1/20 0.44
CTSC P53634 1/20 0.44

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
SCHEMBL6462892 1.00 CTSS (0.47) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7591825 1.00 CTSS (0.47) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7046904 0.86 CTSS (0.45) CTSSCTSBCTSLCTSK
SCHEMBL7045924 0.85 CTSS (0.48) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7045926 0.85 CTSS (0.48) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7045971 0.84 CTSS (0.64) CTSSCTSBCTSL
SCHEMBL6468744 0.81 ALDH1A1 (0.39) CTSSCTSBCTSKCTSHCTSC
Hydrochloric Acid SCHEMBL6465933 0.81 ALDH1A1 (0.38) CTSSCTSBCTSKCTSHCTSC
SCHEMBL6630597 0.80 CTSS (0.35) CTSS
SCHEMBL6630594 0.80 CTSS (0.35) CTSS

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 9/4885CTSB 11/4885CTSL 18/4885

“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.