SCHEMBL29488068

SCHEMBL29488068

CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.57
▸ CTSK P43235 4/20 0.57
▸ CTSL P07711 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ NOD2 Q9HC29 1/20 0.53
▸ ACE P12821 1/20 0.53
▸ REN P00797 6/20 0.52
▸ AKT1 P31749 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL29051019 1.00 CTSS (0.57) CTSSCTSKCTSLCTSBNOD2
SCHEMBL29051015 1.00 CTSS (0.57) CTSSCTSKCTSLCTSBNOD2
SCHEMBL29051009 0.90 NOD2 (0.62) CTSSCTSKCTSLCTSBNOD2
SCHEMBL29488062 0.90 NOD2 (0.62) CTSSCTSKCTSLCTSBNOD2
SCHEMBL28269171 0.88 CTSS (0.57) CTSSCTSKCTSLCTSBACE
SCHEMBL28766261 0.88 CTSS (0.57) CTSSCTSKCTSLCTSBACE
SCHEMBL28269406 0.88 CTSS (0.57) CTSSCTSKCTSLCTSBACE
SCHEMBL28766262 0.88 CTSS (0.57) CTSSCTSKCTSLCTSBACE
SCHEMBL29651388 0.88 CTSS (0.57) CTSSCTSKCTSLCTSBACE
SCHEMBL17706781 0.87 PPARA (0.52) CTSSCTSKCTSLCTSBACE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382886-A1 CONJUGATED TLR7 AND NOD2 AGONISTS UNIVERZA V LJUBLJANI (SI) 2023-11-30 — — US disclosed
EP-4232094-A1 CONJUGATED TLR7 AND NOD2 AGONISTS Univerza V Ljubljani (SI) 2023-08-30 — — EP disclosed
CN-116600830-A Conjugated TLR7 and NOD2 agonists 卢布尔雅那大学 2023-08-15 — — CN disclosed
WO-2022084417-A1 CONJUGATED TLR7 AND NOD2 AGONISTS UNIVERZA V LJUBLJANI (SI) 2022-04-28 — — 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-20230382886-A1 CONJUGATED TLR7 AND NOD2 AGONISTS NOD2, TLR7, TLR9 CTSS 2890/4885CTSK 2307/4885CTSL 1242/4885

“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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