SCHEMBL23857747

SCHEMBL23857747

CCOC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
TACR1 P25103 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
USP30 Q70CQ3 2/20 0.34
RORC P51449 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCD5 Q86SK9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL23856544 0.90 OPRD1 (0.39) OPRD1OPRK1TACR1GPR119JAK2
SCHEMBL31728920 0.82 TACR1 (0.41) OPRD1OPRK1TACR1GPR119JAK2
SCHEMBL20354988 0.79 NR1H2 (0.36) LMNAGPR119JAK2JAK1KDM4E
SCHEMBL20486698 0.76 NR1H2 (0.35) LMNAGPR119JAK2JAK1KDM4E
SCHEMBL25572420 0.76 OPRD1 (0.39) OPRD1OPRK1TACR1GPR119JAK2
SCHEMBL26139450 0.74 KDM4E (0.51) GPR119JAK2JAK1USP30KDM4E
SCHEMBL19948095 0.74 MAPK1 (0.42) GPR119JAK2JAK1USP30RORC
SCHEMBL2626580 0.74 MAPK1 (0.42) GPR119JAK2JAK1USP30RORC
SCHEMBL19616881 0.74 MAPK1 (0.42) GPR119JAK2JAK1USP30RORC
SCHEMBL837936 0.74 NAMPT (0.49) GPR119JAK2JAK1USP30RORC

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 8 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

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 658/4885LMNA 2441/4885

“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.