SCHEMBL23856760

SCHEMBL23856760

COC(=O)C1(C(=O)OC)Cc2cc(=O)n(Cc3ccccc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
SNRNP200 O75643 2/20 0.42
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
MAP4K1 Q92918 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL28908654 0.95 BRD4 (0.43) BRD4BRD2BRD3BRDTSNRNP200
SCHEMBL23857352 0.86 SNRNP200 (0.43) BRD4BRD2BRD3BRDTSNRNP200
SCHEMBL31296493 0.73 MMP8 (0.46) TACR1TACR3ALDH1A1MAPTCYP3A4
SCHEMBL12203632 0.70 MEN1 (0.44) ALDH1A1MAPTGAATSHR
SCHEMBL11316074 0.70 BRD4 (0.70) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL1641959 0.69 KDM4E (0.48) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL28630174 0.68 BRD4 (0.46) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL28494571 0.67 BRD4 (0.45) BRD4BRD2BRD3BRDTMAPK14
SCHEMBL7445797 0.66 MEN1 (0.45) ALDH1A1MAPTTSHR
SCHEMBL23094452 0.66 MAPK14 (0.52) BRD4BRD2BRD3BRDTALDH1A1

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 BRD4 355/4885BRD2 1736/4885BRD3 1584/4885

“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.