SCHEMBL7043205

SCHEMBL7043205

CCC[C@H](NC(=O)N(CCS(=O)(=O)Cc1ccccc1OC)C(=O)OC)C(=O)c1nc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.39
CTSK P43235 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
XDH P47989 1/20 0.38
P2RY14 Q15391 1/20 0.37

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
SCHEMBL6462828 0.94 CTSS (0.41) CTSSCTSKCYP3A4CYP2C9XDH
SCHEMBL6462867 0.89 CTSS (0.41) CTSSCYP3A4CYP2C9XDH
SCHEMBL7046394 0.83 CTSS (0.40) CTSSCYP3A4CYP2C9XDH
SCHEMBL6466173 0.81 CTSS (0.39) CTSSCYP3A4CYP2C9
SCHEMBL6468436 0.81 CTSS (0.44) CTSSCYP3A4CYP2C9XDH
SCHEMBL6467432 0.81 P2RY14 (0.37) CTSSCTSKCYP3A4CYP2C9P2RY14
SCHEMBL6463818 0.80 CTSS (0.40) CTSSCTSKCYP3A4CYP2C9P2RY14
SCHEMBL7045892 0.78 CTSS (0.41) CTSSCYP3A4CYP2C9
SCHEMBL6478314 0.77 CTSS (0.42) CTSSCYP3A4CYP2C9
SCHEMBL7045307 0.77 CTSS (0.42) CTSSCYP3A4CYP2C9

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 9/4885CTSK 32/4885CYP3A4 1183/4885

“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.