Sugi Predict

Sugi Predict / Compounds / SCHEMBL4774446

SCHEMBL4774446

SCHEMBL4774446

CC(C)(C)OC(=O)Nc1ccccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.57
▸ PDK2 Q15119 1/20 0.57
▸ PDK3 Q15120 1/20 0.57
▸ PDK4 Q16654 1/20 0.57
▸ NLRP3 Q96P20 1/20 0.57
▸ GAA P10253 6/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 5/20 0.53
▸ TTK P33981 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ GLA P06280 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL30914163 1.00 PDK1 (0.57) PDK1PDK2PDK3PDK4NLRP3
SCHEMBL14087514 0.87 TTK (0.44) PDK1PDK2PDK3PDK4NLRP3
SCHEMBL3394438 0.86 LMNA (0.46) PDK1PDK2PDK3PDK4NLRP3
SCHEMBL24121799 0.85 PDK1 (0.46) PDK1PDK2PDK3PDK4NLRP3
SCHEMBL31382902 0.85 PDK1 (0.46) PDK1PDK2PDK3PDK4NLRP3
SCHEMBL24110547 0.84 LMNA (0.48) PDK1PDK2PDK3PDK4NLRP3
SCHEMBL514620 0.83 GAA (0.67) PDK1PDK2PDK3PDK4NLRP3
SCHEMBL2880191 0.83 LMNA (0.54) GAAALDH1A1HPGDSMN1; SMN2ALOX15
SCHEMBL3181322 0.82 NSD2 (0.44) PDK1PDK2PDK3PDK4NLRP3
SCHEMBL8347799 0.81 CTSS (0.65) PDK1PDK2PDK3PDK4NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800975-A Compounds with anti-KRAS mutant tumor activity 泰励生物科技（上海）有限公司 2024-04-02 — — CN disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 — — US disclosed
WO-2021077102-A1 NOVEL ANTIPARASITIC COMPOUNDS AND METHODS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-22 — — WO disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 — — US disclosed
WO-2020123670-A1 SMALL MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR ACTIVITY AND/OR EXPRESSION AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-06-18 — — WO disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 — — EP disclosed
CN-110437153-A hepatitis B core protein allosteric modulators UNIV INDIANA RES & TECH CORP 2019-11-12 — — CN disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 — — EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 — — EP disclosed
US-10183936-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-01-22 — — US disclosed
CN-108137549-A FXIA inhibitor derived from novel substituted glycine 百时美施贵宝公司 2018-06-08 — — CN disclosed
CN-106413402-A Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2017-02-15 — — CN disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 — — US disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 — — WO disclosed
EP-1722796-A4 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-01-23 — — EP disclosed
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 — — WO disclosed
EP-1722796-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 — — EP disclosed
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORPORATION 2005-11-24 — — US disclosed
WO-2005082079-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 — — 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 (5 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 PDK1 2521/4885PDK2 3002/4885PDK3 2824/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 PDK1 2521/4885PDK2 3002/4885PDK3 2824/4885
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP PDK1 460/4885PDK2 481/4885PDK3 439/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 PDK1 2521/4885PDK2 3002/4885PDK3 2824/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 PDK1 2521/4885PDK2 3002/4885PDK3 2824/4885

“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.