SCHEMBL23857599

SCHEMBL23857599

COC(=O)C1(C(=O)OC)Cc2c(C)cc(O)c(C)c2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.35
CYP3A4 P08684 3/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
MCL1 Q07820 1/20 0.31
CA12 O43570 4/20 0.31
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 4/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31

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
SCHEMBL30253323 0.98 MT-CO2 (0.34) MT-CO2CYP3A4ACHELMNATSHR
SCHEMBL31296464 0.87 CA12 (0.32) KDM4EPOLBMAPTCA12CA1
SCHEMBL23856899 0.81 ALOX5 (0.34) CYP3A4ACHETSHRMAPTALOX5
SCHEMBL31296432 0.80 LMNA (0.33) ACHELMNATSHRHPGDPOLB
SCHEMBL25571270 0.80 MT-CO2 (0.33) MT-CO2LMNATSHR
SCHEMBL31296468 0.79 MEN1 (0.36) CYP3A4LMNATSHRHPGDKDM4E
SCHEMBL31296467 0.79 KDM4E (0.38) HPGDKDM4EPOLBGAAMAPT
SCHEMBL31296499 0.79 SLC6A3 (0.36) PDK2PDK4
SCHEMBL31296478 0.77 IDO1 (0.30)
SCHEMBL31296484 0.77 GAA (0.34) CYP3A4LMNATSHRGAA

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 7 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
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

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 MT-CO2 1268/4885CYP3A4 374/4885ACHE 1737/4885

“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.