SCHEMBL22573256

SCHEMBL22573256

COc1cc2c(Cl)ccc(Cl)c2nc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ IGF1R P08069 1/20 0.32

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
SCHEMBL30485653 1.00 PTGS2 (0.34) PTGS2PTGS1PDE4APDE4CPDE4D
SCHEMBL22573233 0.84 PDE4A (0.42) PDE4APDE4CPDE4DPGRHPGD
SCHEMBL15834243 0.74 PDE3B (0.35) HTTLMNATP53HPGDKMT2A
SCHEMBL25267484 0.71 CYP3A4 (0.53) PDE4APDE4CPDE4DHTTLMNA
SCHEMBL4169028 0.71 KDM4E (0.37) PDE4APDE4CPDE4DHTTHTR1A
SCHEMBL31554433 0.71 PDE3B (0.40) HTTKMT2ASMN1; SMN2ALDH1A1KDR
SCHEMBL3894223 0.71 SRC (0.45) KDR
SCHEMBL8004806 0.68 CA12 (0.39) PGRTP53NPSR1HSD17B10ALDH1A1
SCHEMBL17657636 0.68 PDE4A (0.36) PDE4APDE4CPDE4DHTR1AHTR1D
SCHEMBL5981248 0.66 CYP19A1 (0.38) PDE4APDE4CPDE4DHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511719-B Novel quinoline compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-07-14 — — CN disclosed
US-20230144399-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230144399-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230144399-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
EP-3728192-A1 NOVEL QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2020-10-28 — — EP disclosed
CN-111511719-A Quinoline compounds for the treatment and prophylaxis of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2020-08-07 — — CN 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-20230144399-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE RECQL, SLC10A1, UGT1A1 PTGS2 2765/4885PTGS1 1285/4885PDE4A 3038/4885

“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.

Send feedback