SCHEMBL23857529

SCHEMBL23857529

O=C(NC1CC2(CNC(=O)O2)C1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.50
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.47
ENPP2 Q13822 1/20 0.46
ATXN2 Q99700 1/20 0.46
CTSL P07711 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
TLR4 O00206 1/20 0.45
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
ROCK2 O75116 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL23871646 1.00 ALDH1A1 (0.52) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL20589479 0.82 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL23871811 0.82 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL23871807 0.82 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL28567212 0.79 EZH2 (0.60) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL16616249 0.79 ALDH1A1 (0.58) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL29134391 0.78 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1CTSL
Hydrochloric Acid SCHEMBL31109896 0.78 EZH2 (0.59) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL23871648 0.77 ALDH1A1 (0.56) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL361720 0.77 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252506-A1 COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2024-08-01 US disclosed
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
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP 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

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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 ALDH1A1 842/4885GAA 2481/4885TSHR 1921/4885
US-20240252506-A1 COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTION C3AR1, LTB4R, C5 ALDH1A1 630/4885GAA 2101/4885TSHR 2984/4885

“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.