SCHEMBL23856899

SCHEMBL23856899

Cc1cc(O)c(C)c2c1CC(C(=O)O)(C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
CYP3A4 P08684 3/20 0.32
ACHE P22303 2/20 0.32
MAPT P10636 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL23857599 0.81 MT-CO2 (0.35) ALOX5CYP3A4ACHEMAPTTSHR
SCHEMBL23857504 0.72
SCHEMBL4278692 0.67 PTGS1 (0.63) ALOX5CYP3A4ACHEPTGS1PTGS2
SCHEMBL23857259 0.67
SCHEMBL31296464 0.67 CA12 (0.32) MAPT
SCHEMBL9507295 0.66 ACHE (0.40) CYP3A4ACHEMAPTSLC22A8CYP1A2
SCHEMBL23857530 0.64 KDM4E (0.33) MAPTALDH1A1HTT
SCHEMBL23857418 0.62
Bicarbonate SCHEMBL11611153 0.62 MAPT (0.45) LDHALDHBCYP3A4ACHEMAPT
Bicarbonate SCHEMBL28002530 0.62 MAPT (0.45) LDHALDHBCYP3A4ACHEMAPT

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 4 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
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 (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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 ALOX5 1402/4885LDHA 168/4885LDHB 16/4885

“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.