Sugi Predict

Sugi Predict / Compounds / SCHEMBL2850443

SCHEMBL2850443

SCHEMBL2850443

CC(C)(C)OC(=O)NCCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ CTSK P43235 10/20 0.51
▸ CTSS P25774 8/20 0.51
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ PPARA Q07869 3/20 0.45
▸ PPARG P37231 2/20 0.45
▸ CAPN1 P07384 1/20 0.45
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PPARD Q03181 1/20 0.43

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
SCHEMBL18281226 1.00 MEN1 (0.61) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1003435 1.00 MEN1 (0.61) MEN1GAAKMT2ACTSKCTSS
SCHEMBL3183889 0.94 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
SCHEMBL21518411 0.94 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
SCHEMBL20209500 0.92 MEN1 (0.59) MEN1GAAKMT2ACTSKCTSS
SCHEMBL16945135 0.90 MEN1 (0.58) MEN1GAAKMT2ACTSKCTSS
SCHEMBL10935584 0.90 MEN1 (0.58) MEN1GAAKMT2ACTSKCTSS
SCHEMBL13282482 0.90 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL903957 0.90 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS
SCHEMBL12238298 0.90 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486453-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2025-01-08 — — EP disclosed
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 — — CN disclosed
EP-4436610-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A TETRA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES Merck Sharp & Dohme LLC (US) 2024-10-02 — — EP disclosed
US-11993571-B2 Indole derivatives as efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-05-28 — — US disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 — — WO disclosed
WO-2023091441-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A TETRA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME LLC (US) 2023-05-25 — — WO disclosed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
US-20230072397-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-09 — — US disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 — — US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — WO disclosed
WO-2018165611-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — WO disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 — — US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 — — EP disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 — — US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 — — EP 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 (6 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 MEN1 2984/4885GAA 362/4885KMT2A 3546/4885
US-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 MEN1 4292/4885GAA 199/4885KMT2A 4690/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MEN1 4292/4885GAA 199/4885KMT2A 4690/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 MEN1 4275/4885GAA 1063/4885KMT2A 4541/4885
US-20230072397-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 MEN1 4216/4885GAA 173/4885KMT2A 4067/4885
US-11993571-B2 Indole derivatives as efflux pump inhibitors ABCB11, ABCB1, ABCG2 MEN1 4275/4885GAA 1063/4885KMT2A 4541/4885

“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.