SCHEMBL21580842

SCHEMBL21580842

CCOC(=O)c1ccc2ccc(OS(=O)(=O)C(F)(F)F)cn2c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.40
▸ GLA P06280 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ HPGD P15428 5/20 0.39
▸ STS P08842 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ STAT3 P40763 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
SCHEMBL21580845 0.87 CXCR2 (0.36) ADORA1CXCR2HSD11B1
SCHEMBL10362966 0.81 KDM4E (0.46) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL23700639 0.80 KDM4E (0.42) ADORA1KDM4EGLAGAAALDH1A1
SCHEMBL10361674 0.78 KDM4E (0.43) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL10362968 0.78 KDM4E (0.46) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL25085840 0.77 KDM4E (0.47) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL8613925 0.77 TSHR (0.47) ADORA1KDM4EGAAALDH1A1HPGD
SCHEMBL10361540 0.77 KDM4E (0.63) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL12788120 0.76 STS (0.47) ADORA1KDM4EALDH1A1HPGDSTS
SCHEMBL21580816 0.76 PDE3B (0.39) ADORA1KDM4EGLAGAAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802549-B1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-03-01 — — EP disclosed
US-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-08-05 — — US disclosed
EP-3802549-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-04-14 — — EP disclosed
CN-112204037-A Novel oxoquinolizine compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-01-08 — — CN disclosed
WO-2019228940-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2019-12-05 — — 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-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION O60361, ARG1, QDPR ADORA1 1268/4885KDM4E 2610/4885GLA 3525/4885

“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.

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