SCHEMBL7049546

SCHEMBL7049546

CCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)c1nc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.51
CTSS P25774 12/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL6462739 0.89 CTSS (0.49) CTSKCTSSCYP3A4CYP2C9MMP1
SCHEMBL7046177 0.89 CTSS (0.49) CTSKCTSSCYP3A4CYP2C9MMP1
SCHEMBL6061690 0.89 CTSS (0.49) CTSKCTSSCYP3A4CYP2C9MMP1
SCHEMBL6063879 0.86 CTSS (0.49) CTSKCTSSCYP3A4CYP2C9CTSL
SCHEMBL5416092 0.84 CTSS (0.48) CTSKCTSSCYP3A4CYP2C9
SCHEMBL6467112 0.83 CTSK (0.47) CTSKCTSSCYP3A4CYP2C9CTSL
SCHEMBL7047000 0.83 CTSS (0.42) CTSKCTSSMMP1MMP3MMP9
SCHEMBL5520898 0.81 CTSS (0.53) CTSSCYP3A4CYP2C9
SCHEMBL6061583 0.80 PRSS8 (0.51) CTSKCTSSMMP1MMP3CTSL
SCHEMBL5945997 0.80 CTSS (0.50) 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 CTSK 32/4885CTSS 9/4885CYP3A4 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.