SCHEMBL6358711

SCHEMBL6358711

CCOC(CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O)OCC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.65
▸ CTSS P25774 5/20 0.65
▸ CTSB P07858 3/20 0.54
▸ CA2 P00918 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CTSK P43235 3/20 0.47
▸ PSMB8 P28062 1/20 0.47
▸ PSMB9 P28065 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ CAPN1 P07384 1/20 0.47
▸ CAPN2 P17655 1/20 0.47
▸ CTSD P07339 1/20 0.46
▸ NMBR P28336 1/20 0.46

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
SCHEMBL6361542 0.92 CTSL (0.54) CTSLCTSSCTSBCA2CA5A
SCHEMBL8199768 0.84 CTSL (0.66) CTSLCTSSCTSBCA2CA5A
SCHEMBL6358735 0.84 CTSK (0.69) CTSLCTSSCTSBCA5ACA1
SCHEMBL7572602 0.83 SIRT2 (0.49) CTSLCTSSCTSB
SCHEMBL6365264 0.83 CTSS (0.53) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL6360378 0.82 SIRT2 (0.49) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL6361685 0.82 SIRT2 (0.49) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL6360713 0.82 SMN1; SMN2 (0.56) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8192271 0.81 CAPN1 (0.53) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL6358666 0.81 CTSS (0.69) CTSLCTSSCTSBCA2CA5A

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 CTSL 2129/4885CTSS 3983/4885CTSB 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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