SCHEMBL7138668

SCHEMBL7138668

CCCCC(NC(=O)C1CCNCC1)C(=O)NC(CCc1ccccc1)C(=O)CO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.49
CTSL P07711 5/20 0.49
CTSB P07858 3/20 0.49
CTSK P43235 2/20 0.49
PSMB5 P28074 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
BDKRB2 P30411 1/20 0.40
GHSR Q92847 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL7138664 0.84 CTSL (0.47) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL7163035 0.82 CTSB (0.48) CTSSCTSLCTSBCTSKPSMB5
SCHEMBL7132876 0.78 CTSL (0.65) CTSSCTSLCTSBCTSKMMP3
SCHEMBL7136830 0.77 CTSK (0.59) CTSSCTSLCTSBCTSKPSMB5
SCHEMBL7138074 0.76 CTSL (0.44) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL7137827 0.76 CTSL (0.58) CTSSCTSLCTSBCTSKPSMB5
SCHEMBL7139836 0.75 PSMB5 (0.49) CTSSCTSLCTSBCTSKPSMB5
SCHEMBL7134280 0.73 CTSB (0.46) CTSSCTSLCTSBCTSKITGB3
SCHEMBL7133702 0.73 CTSL (0.70) CTSSCTSLCTSK
SCHEMBL7133755 0.73 CTSC (0.54) PSMB5GHSR

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-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL CTSS 9/4885CTSL 14/4885CTSB 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.