SCHEMBL6360713

SCHEMBL6360713

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CTSL P07711 2/20 0.55
▸ CTSS P25774 2/20 0.55
▸ BCHE P06276 2/20 0.54
▸ ACHE P22303 2/20 0.54
▸ CACNA1F O60840 1/20 0.54
▸ CACNA1D Q01668 1/20 0.54
▸ CACNA1S Q13698 1/20 0.54
▸ CACNA1C Q13936 1/20 0.54
▸ CAPN1 P07384 1/20 0.53
▸ CAPN2 P17655 1/20 0.53
▸ CTSK P43235 2/20 0.52
▸ FOLH1 Q04609 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SIRT2 Q8IXJ6 7/20 0.52
▸ SIRT1 Q96EB6 6/20 0.52
▸ SIRT3 Q9NTG7 4/20 0.52

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
SCHEMBL6365264 0.93 CTSS (0.53) SMN1; SMN2CTSLCTSSCAPN1CAPN2
SCHEMBL6358735 0.87 CTSK (0.69) CTSLCTSSCAPN1CAPN2CTSK
SCHEMBL22034396 0.87 NMBR (0.63) CTSLCTSSCAPN1CAPN2CTSK
SCHEMBL22034395 0.87 NMBR (0.63) CTSLCTSSCAPN1CAPN2CTSK
SCHEMBL6361024 0.87 SIRT2 (0.62) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL6361021 0.87 SIRT2 (0.62) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL18758793 0.84 CTSS (0.55) SMN1; SMN2CTSLCTSSBCHEACHE
SCHEMBL8750916 0.83 CTSL (0.62) CTSLCTSSCAPN1CAPN2CTSK
SCHEMBL11513551 0.83 BCHE (0.60) SMN1; SMN2CTSLCTSSBCHEACHE
SCHEMBL11513546 0.83 BCHE (0.60) SMN1; SMN2CTSLCTSSBCHEACHE

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 SMN1; SMN2 2904/4885CTSL 2129/4885CTSS 3983/4885

“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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