SCHEMBL299175

SCHEMBL299175

CC(C)(C)OC(=O)Nc1nc(CC(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
SIRT1 Q96EB6 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 1/20 0.47
PI4KB Q9UBF8 1/20 0.46
LMNA P02545 2/20 0.46
KCNH2 Q12809 1/20 0.46
GABRA5 P31644 1/20 0.45
GABRB2 P47870 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 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
SCHEMBL7843059 0.95 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1SIRT1TSHRMAPK1
Trifluoromethanesulfonic Acid SCHEMBL29356486 0.91 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1SIRT1TSHRMAPK1
SCHEMBL9727370 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TSHRMAPK1GAA
SCHEMBL7419507 0.88 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1SIRT1TSHRMAPK1
SCHEMBL29557286 0.88 SIRT1 (0.53) SMN1; SMN2ALDH1A1SIRT1TSHRMAPK1
SCHEMBL1030124 0.86 PI4KB (0.50) SMN1; SMN2ALDH1A1SIRT1TSHRMAPK1
SCHEMBL2175797 0.86 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1SIRT1TSHRMAPK1
SCHEMBL12368644 0.85 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1GAA
Hydrochloric Acid SCHEMBL28584083 0.85 SIRT1 (0.46) SMN1; SMN2ALDH1A1SIRT1TSHRMAPK1
SCHEMBL13033265 0.84 SIRT1 (0.49) SMN1; SMN2ALDH1A1SIRT1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440126-A Preparation method of mirabegron 湖南复瑞生物医药技术有限责任公司 2020-07-24 CN claimed
EP-4313980-B1 LACTIVICIN COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS FEDORA PHARMACEUTICALS INC (CA) 2026-04-22 EP disclosed
CN-108368040-B Diaryl monocyclic beta-lactam compounds and methods for their use in the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 CN disclosed
CN-114531850-B Pharmaceutical composition and kit characterized by containing novel penicillin derivative or salt thereof and at least 1 compound selected from beta-lactamase inhibitory compound and antibacterial compound or salt thereof 富士胶片株式会社 2024-08-06 CN disclosed
CN-117500802-A LACTIVICIN compounds, their preparation and their use as antibacterial agents 费多拉制药有限公司 2024-02-02 CN disclosed
CN-111954673-B New penam derivatives or salts thereof, pharmaceutical compositions and uses thereof 富士胶片株式会社 2023-09-05 CN disclosed
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 CN disclosed
CN-108778273-B Bicyclic aryl monocyclic beta-lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2022-06-17 CN disclosed
CN-114531850-A Pharmaceutical composition and kit characterized by containing novel penicillin derivative or salt thereof and 1 or more compounds selected from beta-lactamase inhibitory compound and antibacterial compound or salt thereof 富士胶片株式会社 2022-05-24 CN disclosed
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 EP disclosed
WO-1994011398-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-05-26 WO disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 EP disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
CN-1058595-A THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES SHIONOGI & CO (JP) 1992-02-12 CN disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 EP disclosed
US-4704457-A Process for the preparation of (3S)-3-[[[2-(protected amino)-4-thiazolyl]-oxoacetyl]amino]-2-oxo-1-azetidinesulfonic acid and 4-substituted derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1987-11-03 US disclosed
EP-0097352-B1 PROCESS FOR THE PREPARATION OF AZETIDINE SULFONIC ACIDS E.R. Squibb & Sons, Inc. (US) 1987-10-07 EP disclosed
EP-0097352-A2 Process for the preparation of azetidine sulfonic acids E.R. Squibb & Sons, Inc. (US) 1984-01-04 EP disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 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 (1 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-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL SMN1; SMN2 3101/4885ALDH1A1 2794/4885SIRT1 4153/4885

“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.