SCHEMBL6361685

SCHEMBL6361685

CCCCCCCCCCCCCC(=O)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NCCC(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 18/20 0.49
▸ SIRT1 Q96EB6 15/20 0.49
▸ SIRT3 Q9NTG7 12/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 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
SCHEMBL6360378 1.00 SIRT2 (0.49) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL6360549 0.86 SIRT2 (0.48) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL6360553 0.86 SIRT2 (0.48) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL7572602 0.83 SIRT2 (0.49) SIRT2SIRT1SIRT3CTSLCTSB
SCHEMBL6358711 0.82 CTSL (0.65) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL6361542 0.80 CTSL (0.54) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8199768 0.78 CTSL (0.66) SIRT2SIRT1MEN1KMT2ACTSL
SCHEMBL7348318 0.77 CA2 (0.61) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL13610345 0.77 CA2 (0.61) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL6427219 0.77 CA2 (0.61) SIRT2SIRT1SIRT3MEN1ALDH1A1

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-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

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.

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