SCHEMBL6358666

SCHEMBL6358666

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.69
▸ CTSL P07711 4/20 0.69
▸ CTSB P07858 2/20 0.55
▸ CA2 P00918 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CTSK P43235 8/20 0.53
▸ CA1 P00915 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PSMB8 P28062 1/20 0.49
▸ PSMB9 P28065 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ CTSD P07339 1/20 0.48

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
SCHEMBL6361534 0.91 CTSS (0.57) CTSSCTSLCTSBCA2CA5A
SCHEMBL6364364 0.83 CTSK (0.76) CTSSCTSLCTSBCA5ACTSK
SCHEMBL6361583 0.83 CTSK (0.76) CTSSCTSLCTSBCA5ACTSK
SCHEMBL9826204 0.82 CTSS (0.71) CTSSCTSLCTSBCA2CA5A
SCHEMBL25693730 0.81 CTSS (0.73) CTSSCTSLCTSBCTSKMEN1
SCHEMBL10415577 0.81 CTSS (0.73) CTSSCTSLCTSBCTSKMEN1
SCHEMBL6358711 0.81 CTSL (0.65) CTSSCTSLCTSBCA2CA5A
SCHEMBL2446560 0.81 CTSL (0.80) CTSSCTSLCTSBCA2CA5A
SCHEMBL19134416 0.80 CTSS (0.71) CTSSCTSLCTSBCA2CA5A
SCHEMBL5708380 0.80 CTSS (0.71) CTSSCTSLCTSBCA2CA5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 — — US disclosed
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives AMERICAN CYANAMID COMPANY 2003-05-08 — — US disclosed
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 — — WO 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-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives UMPS, METTL3, FPR3 CTSS 3983/4885CTSL 2129/4885CTSB 4098/4885

“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.

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