SCHEMBL23856492

SCHEMBL23856492

CC(C)(C)OC(=O)NC[C@@H](O)[C@H]1CN(c2ccc3c(c2)NC(=O)CO3)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
NR3C2 P08235 1/20 0.37
GAA P10253 1/20 0.37
USP30 Q70CQ3 1/20 0.37
PARP1 P09874 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK1 P28482 1/20 0.36
F10 P00742 1/20 0.36
MMP12 P39900 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL23856495 1.00 TRPV1 (0.40) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL30253214 1.00 TRPV1 (0.40) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL23871554 1.00 TRPV1 (0.40) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL590826 0.87 F10 (0.44) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL590827 0.87 F10 (0.44) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL23856773 0.87 ALDH1A1 (0.44) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL23856774 0.87 ALDH1A1 (0.44) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL30253390 0.85 TRPV1 (0.42) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL23856940 0.85 TRPV1 (0.42) TRPV1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL592293 0.85 HPGD (0.39) TRPV1ALDH1A1KMT2AMAPTF10

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
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 TRPV1 897/4885ALDH1A1 842/4885KMT2A 3563/4885

“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.