SCHEMBL23239711

SCHEMBL23239711

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCCCCCCN

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.63
▸ SIRT1 Q96EB6 2/20 0.63
▸ SIRT3 Q9NTG7 2/20 0.63
▸ CPB1 P15086 1/20 0.60
▸ CPB2 Q96IY4 1/20 0.60
▸ PSMB8 P28062 1/20 0.54
▸ PSMB9 P28065 1/20 0.54
▸ PSMB5 P28074 1/20 0.54
▸ CTSL P07711 2/20 0.53
▸ TLR2 O60603 2/20 0.53
▸ KLK7 P49862 1/20 0.52
▸ KLK5 Q9Y337 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ CHRNA1 P02708 1/20 0.52
▸ CHRNG P07510 1/20 0.52
▸ CHRNB1 P11230 1/20 0.52
▸ CHRND Q07001 1/20 0.52
▸ MAPT P10636 2/20 0.51

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
SCHEMBL18072615 0.89 CTSL (0.61) SIRT2SIRT1SIRT3PSMB8PSMB9
SCHEMBL20653746 0.89 CTSL (0.67) SIRT2PSMB8PSMB9PSMB5CTSL
SCHEMBL19933134 0.89 PTGER4 (0.57) SIRT2SIRT1CPB1CPB2PSMB8
SCHEMBL17039853 0.89 FOLH1 (0.57) SIRT2SIRT1CPB1CPB2PSMB8
SCHEMBL12148814 0.89 MAPT (0.62) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL24234635 0.89 CPB1 (0.59) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL23626336 0.88 CPB1 (0.67) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL23446339 0.88 CPB1 (0.57) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL30902797 0.87 MAPT (0.62) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL13785523 0.87 SIRT2 (0.71) SIRT2SIRT1SIRT3CPB1CPB2

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-11828752-B2 Protease-activated contrast agents for in vivo imaging THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-11-28 — — US disclosed
US-20210109090-A1 PROTEASE-ACTIVATED CONTRAST AGENTS FOR IN VIVO IMAGING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-04-15 — — 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 (2 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-20210109090-A1 PROTEASE-ACTIVATED CONTRAST AGENTS FOR IN VIVO IMAGING CTSV, CTSF, CTSS SIRT2 4119/4885SIRT1 4282/4885SIRT3 4639/4885
US-11828752-B2 Protease-activated contrast agents for in vivo imaging CTSV, CTSF, CTSS SIRT2 4119/4885SIRT1 4282/4885SIRT3 4639/4885

“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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