SCHEMBL23856544

SCHEMBL23856544

CC(C)(C)OC(=O)N1CCC(O)(CC(=O)O)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
TACR1 P25103 1/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
GPR119 Q8TDV5 1/20 0.37
USP30 Q70CQ3 3/20 0.36
EGLN2 Q96KS0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
RORC P51449 2/20 0.36
SCD5 Q86SK9 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
NAMPT P43490 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL23857747 0.90 OPRD1 (0.37) OPRD1OPRK1TACR1JAK2JAK1
SCHEMBL31728920 0.86 TACR1 (0.41) OPRD1OPRK1TACR1JAK2JAK1
SCHEMBL25572420 0.79 OPRD1 (0.39) OPRD1OPRK1TACR1JAK2JAK1
SCHEMBL26139450 0.78 KDM4E (0.51) JAK2JAK1GPR119USP30KDM4E
SCHEMBL19616881 0.77 MAPK1 (0.42) JAK2JAK1GPR119USP30KDM4E
SCHEMBL2626580 0.77 MAPK1 (0.42) JAK2JAK1GPR119USP30KDM4E
SCHEMBL19948095 0.77 MAPK1 (0.42) JAK2JAK1GPR119USP30KDM4E
SCHEMBL837936 0.77 NAMPT (0.49) JAK2JAK1GPR119USP30KDM4E
SCHEMBL20355294 0.77 NR1H2 (0.38) OPRD1OPRK1TACR1JAK2JAK1
SCHEMBL28354347 0.75 KDM4E (0.56) GPR119KDM4EPKM

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
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

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 OPRD1 1043/4885OPRK1 658/4885TACR1 424/4885

“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.