SCHEMBL7443791

SCHEMBL7443791

O=C(O)C1CCCS(=O)(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
SLC6A1 P30531 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
SLC6A11 P48066 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
PMP22 Q01453 1/20 0.34
GABRA6 Q16445 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
SCHEMBL19550625 1.00 SMN1; SMN2 (0.39) SMN1; SMN2SLC6A1LMNATSHRSLC6A11
SCHEMBL19550957 1.00 SMN1; SMN2 (0.39) SMN1; SMN2SLC6A1LMNATSHRSLC6A11
SCHEMBL15052626 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRGABRPGABRD
SCHEMBL283932 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRGABRPGABRD
SCHEMBL22365839 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRGABRPGABRD
SCHEMBL14593870 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL18425564 0.75
SCHEMBL25220997 0.72
SCHEMBL1976234 0.70 TSHR (0.46) SMN1; SMN2SLC6A1LMNATSHRSLC6A11
SCHEMBL7272611 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN claimed
EP-3551632-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION THERAPEUTICS AS (DK) 2024-06-12 EP claimed
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN disclosed
US-20230416238-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-12-28 US disclosed
EP-4251622-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
US-20230286988-A1 PHARMACOLOGICALLY ACTIVE HETEROCYCLIC-SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2023-09-14 US disclosed
CN-116323620-A Aromatic bridged cyclic amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-06-23 CN disclosed
WO-2022112205-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor AMGEN INC. (US) 2018-12-11 US disclosed
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors G.D. Searle & Co. (now G.D. Searle, LLC) (US) 2007-01-18 US disclosed
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors G.D. Searle & Co. (now G.D. Searle, LLC) (US) 2007-01-18 US disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (6 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-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 SMN1; SMN2 4831/4885SLC6A1 2396/4885LMNA 2922/4885
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors TMPRSS15, TMPRSS11D, MME SMN1; SMN2 3816/4885SLC6A1 1083/4885LMNA 4170/4885
US-20230416238-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION CYP2E1, HAVCR2, CYP4X1 SMN1; SMN2 3563/4885SLC6A1 3723/4885LMNA 666/4885
US-20230286988-A1 PHARMACOLOGICALLY ACTIVE HETEROCYCLIC-SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES GABRA5, GABRA1, P2RX5 SMN1; SMN2 2384/4885SLC6A1 33/4885LMNA 3902/4885
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor TBXA2R, APLNR, GPR27 SMN1; SMN2 4831/4885SLC6A1 2396/4885LMNA 2922/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 SMN1; SMN2 4789/4885SLC6A1 3390/4885LMNA 2947/4885

“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.