SCHEMBL14015261

SCHEMBL14015261

C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCCN=[N+]=[N-])C(=O)Nc1ccc(COC(=O)Nc2ccc(COC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 9/20 0.43
▸ SIRT1 Q96EB6 8/20 0.43
▸ SIRT5 Q9NXA8 4/20 0.43
▸ SIRT3 Q9NTG7 3/20 0.43
▸ MMP3 P08254 2/20 0.41

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
SCHEMBL14015260 0.91 SIRT2 (0.40) SIRT2SIRT1SIRT5SIRT3MMP3
SCHEMBL14015259 0.86 FOLH1 (0.43) —
SCHEMBL14014263 0.75 TDP1 (0.52) —
SCHEMBL14014269 0.74 FOLH1 (0.44) —
SCHEMBL12567137 0.73 SIRT2 (0.44) SIRT2SIRT1SIRT5SIRT3
SCHEMBL12285414 0.73 PSMB8 (0.47) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5307097 0.72 PTGER4 (0.56) SIRT5
SCHEMBL6013148 0.71 SIRT2 (0.47) SIRT2SIRT1SIRT5SIRT3
SCHEMBL30471718 0.71 SSTR3 (0.50) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5550452 0.71 SIRT2 (0.45) SIRT2SIRT1SIRT5SIRT3

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-8158590-B2 Triazole-containing releasable linkers, conjugates thereof, and methods of preparation SYNTARGA B.V. (NL) 2012-04-17 — — US disclosed
US-20080311136-A1 Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation BYONDIS B.V. (NL) 2008-12-18 — — 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-20080311136-A1 Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation PAICS, CD44, TRIM33 SIRT2 1084/4885SIRT1 319/4885SIRT5 451/4885

“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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