SCHEMBL6896443

SCHEMBL6896443

O=S(=O)(Cl)c1sc(Br)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
GSK3B P49841 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
SCHEMBL390902 0.80 CCR4 (0.40) OPRD1GSK3B
SCHEMBL4606362 0.78 ALDH1A1 (0.43) OPRD1
SCHEMBL7509729 0.77 CA2 (0.41)
Hydrochloric Acid SCHEMBL27989877 0.76 OPRD1 (0.45) OPRD1GSK3B
SCHEMBL11123474 0.72 OPRD1 (0.46) OPRD1GSK3B
SCHEMBL5517761 0.71 CA1 (0.42) OPRD1
SCHEMBL27708565 0.70 AGTR2 (0.31)
SCHEMBL7491476 0.70 CCKBR (0.38) GSK3B
SCHEMBL22010263 0.69 LMNA (0.42) OPRD1
SCHEMBL3004459 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110179777-B Pharmaceutical compositions comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-07-15 CN disclosed
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
EP-3427728-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2021-07-07 EP disclosed
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
CN-110179777-A Medical composition comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2019-08-30 CN disclosed
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2019-07-25 US disclosed
CN-105142627-B Pharmaceutical compositions comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2019-06-21 CN disclosed
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
EP-3427728-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2019-01-16 EP disclosed
WO-2014113700-A9 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-10-09 WO disclosed
WO-2014113700-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-24 WO disclosed
WO-2013093095-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2013-06-27 WO disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
US-20020119969-A1 Novel process NOVO NORDISK A/S (DK) 2002-08-29 US disclosed
EP-1194430-A1 NOVEL PROCESS NOVO NORDISK A/S (DK) 2002-04-10 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2001002410-A1 NOVEL PROCESS NOVO NORDISK A/S (DK) 2001-01-11 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 OPRD1 382/4885GSK3B 1420/4885
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 OPRD1 382/4885GSK3B 1420/4885
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 OPRD1 382/4885GSK3B 1420/4885
US-20020119969-A1 Novel process CYP3A5, CYP4F2, CYP4F12 OPRD1 1230/4885GSK3B 4220/4885
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 OPRD1 382/4885GSK3B 1420/4885
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 OPRD1 382/4885GSK3B 1420/4885

“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.