SCHEMBL1962389

SCHEMBL1962389

CC(C)COc1ccc(B(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
CA1 P00915 2/20 0.52
ENPP2 Q13822 1/20 0.52
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
XBP1 P17861 1/20 0.47
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACACB O00763 2/20 0.42
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42

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
SCHEMBL2800921 0.94 CA1 (0.47) CA2CA1ENPP2MAPTHPGD
SCHEMBL21346513 0.86 LMNA (0.60) CA2CA1ENPP2MAPTPOLB
SCHEMBL2560860 0.84 CA1 (0.47) CA2CA1ENPP2MAPTHPGD
SCHEMBL18245366 0.83 MAPT (0.46) MAPTHPGDPOLBXBP1MEN1
SCHEMBL2559821 0.83 FFAR1 (0.50) CA2CA1ENPP2LMNALPL
SCHEMBL123415 0.82 MAPT (0.55) MAPTHPGDPOLBXBP1MEN1
SCHEMBL2557957 0.82 ENPP2 (0.55) CA2CA1ENPP2MAPTPOLB
SCHEMBL29953712 0.81 TDP1 (0.59) CA2CA1ENPP2MAPTKMT2A
SCHEMBL29955188 0.80 GPR88 (0.44) CA2CA1ENPP2
SCHEMBL15330098 0.80 CA2 (0.47) CA2CA1ENPP2ACACBLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024016826-A1 6-POSITION SUBSTITUTED DIHYDROBENZO[E][1,2,3]OXATHIAZINE 2,2-DIOXIDE COMPOUND, PREPARATION THEREFOR, AND USE THEREOF 杭州市第七人民医院 2024-01-25 WO claimed
CN-115232090-A 6-substituted dihydrobenzo [ e ] [1,2,3] oxathiazine 2,2-dioxide compound and preparation and application thereof 杭州市第七人民医院 2022-10-25 CN claimed
EP-3820860-B1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INST INC (US) 2025-10-15 EP disclosed
US-12398111-B2 Triazine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2025-08-26 US disclosed
CN-115232090-B 6-Substituted dihydrobenzo [ e ] [1,2,3] oxathiazine 2, 2-dioxide compound and preparation and application thereof 杭州市第七人民医院 2024-11-19 CN disclosed
US-11993581-B2 Pyridazine compounds for inhibiting Nav1.8 LIEBER INSTITUE, INC (US) 2024-05-28 US disclosed
WO-2024016826-A1 6-POSITION SUBSTITUTED DIHYDROBENZO[E][1,2,3]OXATHIAZINE 2,2-DIOXIDE COMPOUND, PREPARATION THEREFOR, AND USE THEREOF 杭州市第七人民医院 2024-01-25 WO disclosed
CN-114685564-B Novel phosphoramidite ligand and synthesis method and application thereof 西北大学 2023-09-22 CN disclosed
WO-2023166450-A1 NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2023-09-07 WO disclosed
CN-116199636-A 2, 4-disubstituted pyrimidine derivative of targeted tumor immunity kinase, preparation method and application thereof 杭州医学院 2023-06-02 CN disclosed
CN-111630052-B Dihydroindazinone derivatives 第一三共株式会社 2023-04-18 CN disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 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 (2 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-11993581-B2 Pyridazine compounds for inhibiting Nav1.8 SCN8A, SCN5A, SCN2A CA2 1887/4885CA1 3708/4885ENPP2 606/4885
US-12398111-B2 Triazine compounds and pharmaceutical use thereof PTGIS, PTGS1, PTGES CA2 1103/4885CA1 1290/4885ENPP2 316/4885

“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.