SCHEMBL6361024

SCHEMBL6361024

CCOC(CCNC(=O)C(CCCCNC(=O)O)NC(=O)OCc1ccccc1)OCC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 16/20 0.62
▸ SIRT1 Q96EB6 13/20 0.62
▸ SIRT3 Q9NTG7 10/20 0.58
▸ CTSL P07711 1/20 0.58
▸ CTSS P25774 1/20 0.58
▸ CPB1 P15086 1/20 0.55
▸ CPB2 Q96IY4 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55

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
SCHEMBL6361021 1.00 SIRT2 (0.62) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL6360713 0.87 SMN1; SMN2 (0.56) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL6365264 0.85 CTSS (0.53) SIRT2SIRT1CTSLCTSS
SCHEMBL6358735 0.85 CTSK (0.69) CTSLCTSS
SCHEMBL8750916 0.85 CTSL (0.62) SIRT2SIRT1CTSLCTSS
SCHEMBL16782306 0.83 SIRT2 (0.66) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL6361536 0.82 SIRT5 (0.57) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL6361539 0.82 SIRT5 (0.57) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL11737428 0.82 CTSL (0.76) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL8192271 0.80 CAPN1 (0.53) SIRT2SIRT1SIRT3CTSLCTSS

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 SIRT2 3523/4885SIRT1 3835/4885SIRT3 3214/4885

“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.

Send feedback