SCHEMBL3584839

SCHEMBL3584839

CC(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.62
CTSL P07711 5/20 0.58
CTSB P07858 5/20 0.58
CTSS P25774 4/20 0.58
ATM Q13315 1/20 0.54
CAPN1 P07384 2/20 0.54
CAPN2 P17655 1/20 0.54

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
SCHEMBL1823902 0.90 CTSK (0.76) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL222158 0.90 CTSK (0.76) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL2366985 0.90 CTSK (0.76) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8683812 0.89 CTSK (0.62) CTSKCTSLCTSBCTSSATM
SCHEMBL8683808 0.89 CTSK (0.62) CTSKCTSLCTSBCTSSATM
SCHEMBL7580108 0.89 CTSK (0.62) CTSKCTSLCTSBCTSSATM
SCHEMBL7551174 0.89 CTSK (0.62) CTSKCTSLCTSBCTSSATM
SCHEMBL7685433 0.87 CTSK (0.57) CTSKCTSLCTSBCTSSATM
SCHEMBL14422996 0.87 CTSK (0.62) CTSKCTSLCTSBCTSSATM
SCHEMBL26986114 0.87 CTSK (0.56) CTSKCTSLCTSBCTSS

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 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-20060270693-A1 Ether derivative UROD, IL5, IL17A CTSK 3314/4885CTSL 3410/4885CTSB 4240/4885

“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.