SCHEMBL7044248

SCHEMBL7044248

CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1ncco1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CTSB P07858 2/20 0.49
MMP3 P08254 13/20 0.47
MMP2 P08253 12/20 0.47
MMP1 P03956 10/20 0.47
MMP9 P14780 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
SCHEMBL7045312 0.85 CTSL (0.46) CTSLCTSSCTSBMMP3MMP2
SCHEMBL6462739 0.83 CTSS (0.49) CTSLCTSSCTSBMMP3MMP2
SCHEMBL6061690 0.83 CTSS (0.49) CTSLCTSSCTSBMMP3MMP2
SCHEMBL7046177 0.83 CTSS (0.49) CTSLCTSSCTSBMMP3MMP2
SCHEMBL7045896 0.83 CTSS (0.49) CTSLCTSSCTSBMMP3MMP2
SCHEMBL6472183 0.82 FAAH (0.48) CTSLCTSSCTSB
SCHEMBL5954906 0.79 CTSS (0.66) CTSLCTSSCTSB
SCHEMBL5954902 0.79 CTSS (0.66) CTSLCTSSCTSB
SCHEMBL6062029 0.79 CNR1 (0.48) CTSLCTSSCTSBMMP3MMP2
SCHEMBL7048589 0.79 CNR1 (0.48) CTSLCTSSCTSBMMP3MMP2

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 18/4885CTSS 9/4885CTSB 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.