SCHEMBL7559472

SCHEMBL7559472

NC(=O)C1CCS(=O)(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3916389 0.85 SMN1; SMN2 (0.40) KDM4EALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL11821021 0.81 MCL1 (0.34) KDM4EALDH1A1
SCHEMBL28261770 0.80 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL18618110 0.79
SCHEMBL22365839 0.78 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL15052626 0.78 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL283932 0.78 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL20002868 0.76 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL6879374 0.76 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL16892259 0.76 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002072571-A2 PYRIDINYL PYRAZOLES USEFUL FOR THE TREATMENT OF COPD BAYER AKTIENGESELLSCHAFT (DE) 2002-09-19 WO claimed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
CN-116438166-A N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
CN-103052386-B Compositions containing tetracyclic compound CHUGAI PHARMACEUTICAL CO.,LTD. (JP) 2016-03-02 CN disclosed
EP-2483277-B1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-12-02 EP disclosed
CN-102762574-B Benzoxapi 3K inhibitor compounds and methods of use HOFFMAN-LA ROCHE LTD. (CH) 2015-12-02 CN disclosed
US-9175009-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-11-03 US disclosed
CN-104987345-A BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE 2015-10-21 CN disclosed
CN-102459172-B Tetracyclic compound CHUGAI PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-04-02 US disclosed
US-8952043-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2015-02-10 US disclosed
EP-2784078-A1 Benzoxepin pi3k inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-10-01 EP disclosed
US-20140135308-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-15 US disclosed
US-8673952-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2014-03-18 US disclosed
US-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2013-01-10 US disclosed
CN-102762574-A Benzoxapi 3K inhibitor compounds and methods of use HOFFMANN LA ROCHE 2012-10-31 CN disclosed
US-8263633-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-09-11 US disclosed
EP-2483277-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-08-08 EP 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-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3R2 KDM4E 2757/4885ALDH1A1 4119/4885SMN1; SMN2 2293/4885
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 KDM4E 3459/4885ALDH1A1 4809/4885SMN1; SMN2 1519/4885
US-20140135308-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 KDM4E 3459/4885ALDH1A1 4809/4885SMN1; SMN2 1519/4885
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP1B1, CYP7A1 KDM4E 3906/4885ALDH1A1 79/4885SMN1; SMN2 3416/4885

“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.