SCHEMBL13483252

SCHEMBL13483252

CC(C)(C)OC(=O)N[C@@H](CN=[N+]=[N-])C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.43
▸ CTSS P25774 6/20 0.43
▸ PPARA Q07869 7/20 0.43
▸ PPARG P37231 6/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ ACE P12821 1/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL15157513 1.00 CTSK (0.43) CTSKCTSSPPARAPPARGCTSL
SCHEMBL15156428 1.00 CTSK (0.43) CTSKCTSSPPARAPPARGCTSL
SCHEMBL14497053 0.88 CYP1A2 (0.41) CTSKCTSSCTSLCTSBCA1
SCHEMBL29389345 0.87 HDAC4 (0.45) CTSKCTSSPPARAPPARGCTSL
SCHEMBL17080907 0.87 CYP1A2 (0.40) CTSKCTSSCTSLCTSBCA1
SCHEMBL19326572 0.87 CYP1A2 (0.40) CTSKCTSSCTSLCTSBCA1
SCHEMBL21437807 0.87 CTSK (0.44) CTSKCTSSPPARAPPARGCTSL
SCHEMBL15451952 0.87 CTSK (0.44) CTSKCTSSPPARAPPARGCTSL
SCHEMBL31240095 0.87 CYP1A2 (0.40) CTSKCTSSCTSLCTSBCA1
SCHEMBL15083489 0.84 CTSK (0.46) CTSKCTSSPPARAPPARGCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302150-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF AMBRX, INC. (US) 2023-09-28 — — US disclosed
US-20230302150-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF AMBRX, INC. (US) 2023-09-28 — — US disclosed
US-9309284-B2 Macrocyclic and peptidomimetic compounds as broad-spectrum antivirals against 3C or 3C-like proteases of picornaviruses, caliciviruses and coronaviruses Kansas State University Reasearch Foundation (US) 2016-04-12 — — US disclosed
US-20150133368-A1 MACROCYCLIC AND PEPTIDOMIMETIC COMPOUNDS AS BROAD-SPECTRUM ANTIVIRALS AGAINST 3C OR 3C-LIKE PROTEASES OF PICORNAVIRUSES, CALICIVIRUSES AND CORONAVIRUSES WICHITA STATE UNIVERSITY 2015-05-14 — — US disclosed
EP-2844249-A1 MACROCYCLIC AND PEPTIDOMIMETIC COMPOUNDS AS BROAD-SPECTRUM ANTIVIRALS AGAINST 3C OR 3C-LIKE PROTEASES OF PICORNAVIRUSES, CALICIVIRUSES AND CORONAVIRUSES Kansas State University Research Foundation (US) 2015-03-11 — — EP disclosed
WO-2013166319-A1 MACROCYCLIC AND PEPTIDOMIMETIC COMPOUNDS AS BROAD-SPECTRUM ANTIVIRALS AGAINST 3C OR 3C-LIKE PROTEASES OF PICORNAVIRUSES, CALICIVIRUSES AND CORONAVIRUSES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-11-07 — — WO disclosed
US-7939626-B2 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-10 — — US disclosed
US-7838665-B2 Chemoselective ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-23 — — US disclosed
US-7667012-B2 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product; N-azidogalactosamine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-23 — — US disclosed
US-20080214801-A1 CHEMOSELECTIVE LIGATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-04 — — 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 (3 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-20150133368-A1 MACROCYCLIC AND PEPTIDOMIMETIC COMPOUNDS AS BROAD-SPECTRUM ANTIVIRALS AGAINST 3C OR 3C-LIKE PROTEASES OF PICORNAVIRUSES, CALICIVIRUSES AND CORONAVIRUSES CTSV, CTSL, GTF3C3 CTSK 50/4885CTSS 9/4885PPARA 1733/4885
US-20230302150-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF TLR3, TLR1, TLR9 CTSK 2840/4885CTSS 3711/4885PPARA 179/4885
US-20080214801-A1 CHEMOSELECTIVE LIGATION PTMS, QPCT, DNPEP CTSK 1494/4885CTSS 1890/4885PPARA 2018/4885

“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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