SCHEMBL3963654

SCHEMBL3963654

CC#CCC(CC#CC)(C(=O)OC)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.34
DGAT1 O75907 1/20 0.32
PTPN1 P18031 2/20 0.32
PTPN2 P17706 1/20 0.32
PTPRA P18433 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL23856832 0.90 PTPRB (0.30) PTPRB
SCHEMBL16994587 0.90 ALDH1A1 (0.33) PTPRB
SCHEMBL30253243 0.89 DGAT1 (0.34) PTPRBDGAT1PTPN1PTPN2PTPRA
SCHEMBL17358192 0.87
SCHEMBL20627096 0.87 PTPRB (0.32) PTPRBPTPN1PTPN2PTPRA
SCHEMBL30253452 0.83 ALDH1A1 (0.30)
SCHEMBL14727963 0.82 DGAT1 (0.37) DGAT1CTSK
SCHEMBL11449724 0.80 DGAT1 (0.35) DGAT1CTSK
SCHEMBL13259166 0.78 MEN1 (0.48)
SCHEMBL3974919 0.74 ALDH1A1 (0.38) PTPRBDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
US-9790187-B2 Heterocyclic compounds UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-10-17 US disclosed
US-20150307455-A1 HETEROCYCLIC COMPOUNDS NATIONAL SCIENCE FOUNDATION 2015-10-29 US disclosed
US-9102683-B2 Heterocyclic compounds UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-08-11 US disclosed
WO-2009044130-A1 BIARYL DIPHOSPHINES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-04-09 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 (2 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-20150307455-A1 HETEROCYCLIC COMPOUNDS CYP2C8, UGT1A8, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PTPRB 3797/4885DGAT1 3093/4885PTPN1 4414/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 PTPRB 1765/4885DGAT1 3509/4885PTPN1 3461/4885

“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.