SCHEMBL7045896

SCHEMBL7045896

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
REN P00797 3/20 0.44
MMP3 P08254 11/20 0.43
MMP1 P03956 8/20 0.43
MMP2 P08253 7/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MMP9 P14780 1/20 0.40

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
SCHEMBL7046183 0.85 CTSL (0.46) CTSSCTSLCTSBRENMMP3
SCHEMBL7044248 0.83 CTSL (0.49) CTSSCTSLCTSBMMP3MMP1
SCHEMBL7044867 0.83 CTSS (0.48) CTSSCTSLCTSBRENMMP3
SCHEMBL7109606 0.83 CTSS (0.48) CTSSCTSLCTSBRENMMP3
SCHEMBL6462673 0.81 MEN1 (0.42) CTSSCTSLCTSB
SCHEMBL7049025 0.74 CTSS (0.64) CTSSCTSLCTSBRENMMP3
SCHEMBL7047934 0.73 CTSS (0.46) CTSSCTSLCTSBRENMMP3
SCHEMBL7045312 0.72 CTSL (0.46) CTSSCTSLCTSBMMP3MMP1
SCHEMBL7047000 0.72 CTSS (0.42) CTSSCTSLRENMMP3MMP1
SCHEMBL7043449 0.72 CTSS (0.63) CTSSCTSLCTSBRENMMP3

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.