Sugi Predict

Sugi Predict / Compounds / SCHEMBL836446

SCHEMBL836446

SCHEMBL836446

CCC(NC(=O)OC(C)(C)C)C(=O)N(C)OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.52
▸ BTK Q06187 1/20 0.52
▸ CTSK P43235 12/20 0.51
▸ CTSS P25774 8/20 0.51
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CAPN1 P07384 1/20 0.38

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
SCHEMBL6631742 1.00 JAK3 (0.52) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL836447 1.00 JAK3 (0.52) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL418755 0.88 JAK3 (0.56) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL837298 0.88 JAK3 (0.56) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL31393677 0.88 JAK3 (0.56) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL8228461 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL747074 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL3745068 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL24856016 0.86 JAK3 (0.51) JAK3BTKCTSKCTSSCYP1A2
SCHEMBL8382498 0.86 JAK3 (0.51) JAK3BTKCTSKCTSSCYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 — — CN disclosed
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 — — US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 — — US disclosed
CN-105924433-B Substituted aminopyrimidine compounds and use method and application thereof 广东东阳光药业有限公司 2020-12-22 — — CN disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 — — US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 — — US disclosed
US-9657007-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-05-23 — — US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 — — US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 — — US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 — — US disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 — — WO disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 — — US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 — — US disclosed
US-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN-LA ROCHE, INC. 2010-12-09 — — US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 — — US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 — — US disclosed
US-7678760-B2 Inhibitors of Memapsin 2 and use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-16 — — US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
EP-1939213-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-07-02 — — EP disclosed
US-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-01-24 — — 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 (9 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 JAK3 3057/4885BTK 2952/4885CTSK 659/4885
US-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 JAK3 3530/4885BTK 1242/4885CTSK 1601/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 JAK3 3530/4885BTK 1242/4885CTSK 1601/4885
US-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R JAK3 1450/4885BTK 1270/4885CTSK 2354/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 JAK3 3057/4885BTK 2952/4885CTSK 659/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 JAK3 3530/4885BTK 1242/4885CTSK 1601/4885
US-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF PSEN2, APP, ANPEP JAK3 4827/4885BTK 4243/4885CTSK 2847/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 JAK3 3530/4885BTK 1242/4885CTSK 1601/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 JAK3 3057/4885BTK 2952/4885CTSK 659/4885

“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.