SCHEMBL3957338

SCHEMBL3957338

Cc1ccc(S(=O)(=O)OC2CC(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.39
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
ENPP2 Q13822 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
RAB9A P51151 1/20 0.36
MMP13 P45452 1/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAAA Q02083 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
SCHEMBL8243701 1.00 CYP2D6 (0.47) CYP2D6CYP3A4CYP2C19CYP1A2ENPP3
SCHEMBL21987454 0.91 CYP2D6 (0.47) CYP2D6CYP3A4CYP2C19CYP1A2ENPP3
SCHEMBL17362258 0.89 CYP2D6 (0.45) CYP2D6CYP3A4CYP2C19CYP1A2ENPP3
SCHEMBL16126799 0.88 CYP2D6 (0.52) CYP2D6CYP3A4CYP2C19CYP1A2ENPP3
SCHEMBL21987475 0.88 CYP2D6 (0.52) CYP2D6CYP3A4CYP2C19CYP1A2ENPP3
SCHEMBL25544479 0.85 CYP2D6 (0.50) CYP2D6CYP3A4CYP2C19CYP1A2ENPP3
SCHEMBL401343 0.85 CYP2D6 (0.50) CYP2D6CYP3A4CYP2C19CYP1A2ENPP3
SCHEMBL401342 0.85 CYP2D6 (0.50) CYP2D6CYP3A4CYP2C19CYP1A2ENPP3
SCHEMBL21801241 0.84 ALDH1A1 (0.36) CYP2D6CYP3A4CYP2C19ENPP3ENPP1
SCHEMBL21801242 0.84 ALDH1A1 (0.36) CYP2D6CYP3A4CYP2C19ENPP3ENPP1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911413-B1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-12-06 EP disclosed
CN-112996566-B Chroman-4-one derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-11-03 CN disclosed
US-20220388972-A1 CHROMAN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-12-08 US disclosed
US-20220388972-A1 CHROMAN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-12-08 US disclosed
US-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-07-07 US disclosed
EP-3911413-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-11-24 EP disclosed
EP-3894004-A1 CHROMAN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-20 EP disclosed
CN-113301959-A Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-24 CN disclosed
CN-112996566-A Chroman-4-one derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
WO-2020148354-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-07-23 WO disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
EP-2968270-A2 MODULATION OF K2P CHANNELS The Regents of The University of California (US) 2016-01-20 EP disclosed
WO-2014165307-A9 MODULATION OF K2P CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 WO disclosed
WO-2014165307-A9 MODULATION OF K2P CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 WO disclosed
WO-2014165307-A2 MODULATION OF K2P CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-09 WO disclosed
WO-2014165307-A2 MODULATION OF K2P CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-09 WO disclosed
US-7507742-B2 Spirocyclic derivatives PFIZER INC. (US) 2009-03-24 US disclosed
US-20070129388-A1 Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid PFIZER, INC. 2007-06-07 US 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 (4 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-20070129388-A1 Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid PDE7A, PDE7B, PDE3A CYP2D6 52/4885CYP3A4 442/4885CYP2C19 140/4885
US-20220388972-A1 CHROMAN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP7A1 CYP2D6 149/4885CYP3A4 21/4885CYP2C19 95/4885
US-20160031814-A1 MODULATION OF K2P CHANNELS KCNJ2, KCNK2, KCNN3 CYP2D6 4473/4885CYP3A4 4694/4885CYP2C19 4718/4885
US-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP26B1, CYP7A1 CYP2D6 87/4885CYP3A4 27/4885CYP2C19 97/4885

“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.