Sugi Predict

Sugi Predict / Compounds / SCHEMBL4402755

SCHEMBL4402755

SCHEMBL4402755

Cc1ccc(S(=O)(=O)OC[C@H]2CN(C(=O)O)CCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP2D6 P10635 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL16415404 1.00 PDK1 (0.49) PDK1ALDH1A1L3MBTL1CYP2D6CYP3A4
SCHEMBL618279 1.00 PDK1 (0.49) PDK1ALDH1A1L3MBTL1CYP2D6CYP3A4
SCHEMBL12495895 0.88 PDK1 (0.42) PDK1ALDH1A1L3MBTL1CYP2D6ALOX12
SCHEMBL617821 0.85 PDK1 (0.45) PDK1ALDH1A1MEN1KMT2A
SCHEMBL618014 0.85 PDK1 (0.45) PDK1ALDH1A1MEN1KMT2A
SCHEMBL617822 0.85 PDK1 (0.45) PDK1ALDH1A1MEN1KMT2A
SCHEMBL30144175 0.85 PDK1 (0.40) PDK1ALDH1A1L3MBTL1CYP2D6ALOX12
SCHEMBL25308269 0.84 PDK1 (0.44) PDK1CYP2C9CYP2C19CYP1A2
SCHEMBL28131900 0.83 ALDH1A1 (0.44) PDK1ALDH1A1L3MBTL1TSHRALOX12
SCHEMBL29186133 0.83 ALDH1A1 (0.44) PDK1ALDH1A1L3MBTL1TSHRALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES CILAG AG (CH) 2024-05-30 — — US disclosed
US-11981683-B2 Indazole based compounds and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-05-14 — — US disclosed
WO-2024054876-A1 LEUCINE RICH REPEAT KINASE 2 (LRRK2) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 — — WO disclosed
EP-4308557-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2024-01-24 — — EP disclosed
CN-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 — — CN disclosed
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 — — EP disclosed
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 — — US disclosed
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 — — US disclosed
CN-115697990-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-02-03 — — CN disclosed
EP-4121422-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2023-01-25 — — EP disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 — — CN disclosed
WO-2016091776-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2016-06-16 — — WO disclosed
CN-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 — — CN disclosed
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 — — WO disclosed
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-01-29 — — US disclosed
WO-2014179496-A1 SERINE/THREONINE KINASE INHIBITORS AFRAXIS HOLDINGS, INC. (US) 2014-11-06 — — WO disclosed
US-20140323477-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-10-30 — — US disclosed
US-20140323478-A1 SERINE/THREONINE KINASE INHIBITORS AFRAXIS HOLDINGS, INC. (US) 2014-10-30 — — US disclosed
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 — — EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 — — 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 (8 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-20140323478-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, PAK2, AKT1 PDK1 235/4885ALDH1A1 1904/4885L3MBTL1 2017/4885
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 PDK1 1686/4885ALDH1A1 71/4885L3MBTL1 2890/4885
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 PDK1 148/4885ALDH1A1 2413/4885L3MBTL1 1437/4885
US-20140323477-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, PAK2, AKT1 PDK1 214/4885ALDH1A1 1846/4885L3MBTL1 2015/4885
US-11981683-B2 Indazole based compounds and associated methods of use LRRK2, CRBN, MDM2 PDK1 1366/4885ALDH1A1 3531/4885L3MBTL1 243/4885
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 PDK1 1366/4885ALDH1A1 3531/4885L3MBTL1 243/4885
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 PDK1 647/4885ALDH1A1 4411/4885L3MBTL1 4124/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PDK1 1016/4885ALDH1A1 178/4885L3MBTL1 4727/4885

“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.