SCHEMBL537069

SCHEMBL537069

Cc1ccc(S(=O)(=O)N2C3CCCCC32)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.69
ALDH1A1 P00352 5/20 0.55
PKM P14618 3/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.51
MMP2 P08253 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2600494 0.98 ACHE (0.67) ACHEALDH1A1PKMPOLBHTT
SCHEMBL2690876 0.96 ACHE (0.74) ACHEALDH1A1PKMPOLBHTT
SCHEMBL13830631 0.87 ACHE (0.58) ACHEALDH1A1PKMPOLBHTT
SCHEMBL13812162 0.84 ACHE (0.68) ACHEALDH1A1PKMPOLBHTT
SCHEMBL27201918 0.82 ACHE (0.53) ACHEALDH1A1PKMPOLBHTT
SCHEMBL13069242 0.81 ACHE (1.00) ACHEALDH1A1PKMPOLBHTT
SCHEMBL19392468 0.81 ACHE (1.00) ACHEALDH1A1PKMPOLBHTT
SCHEMBL27201781 0.81 ACHE (0.56) ACHEALDH1A1PKMPOLBHTT
SCHEMBL13248930 0.81 ACHE (1.00) ACHEALDH1A1PKMPOLBHTT
SCHEMBL12169285 0.81 ACHE (0.86) ACHEALDH1A1PKMPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539855-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Borah, Inc. (US) 2025-04-23 EP disclosed
CN-119343143-A Boron-containing pyrimidine compounds, compositions containing them, methods and uses thereof 博拉公司 2025-01-21 CN disclosed
CN-118290318-B Trithiocarbonate and application thereof in preparation of narrow-distribution poly-p-acetoxystyrene 广东工业大学 2024-07-30 CN disclosed
CN-118290318-A Trithiocarbonate and application thereof in preparation of narrow-distribution poly-p-acetoxystyrene 广东工业大学 2024-07-05 CN disclosed
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-04-25 US disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 WO disclosed
EP-2413697-B1 STABILISATION OF COMPOUNDS CONTAINING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-08 EP disclosed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
US-20070225505-A1 Method for the Preparation of (2S, 3AR, 7AS)-Octahydro-III-Indole-2-Carboxylic Acid as Key Intermediate in the Preparation of Trandolapril by Reacting a Cyclohexyl Aziridine with a Dialkyl Malonate TEXCONTOR ETABLISSEMENT (LI) 2007-09-27 US disclosed
US-20070225505-A1 Method for the Preparation of (2S, 3AR, 7AS)-Octahydro-III-Indole-2-Carboxylic Acid as Key Intermediate in the Preparation of Trandolapril by Reacting a Cyclohexyl Aziridine with a Dialkyl Malonate TEXCONTOR ETABLISSEMENT (LI) 2007-09-27 US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
WO-2007011810-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 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 (5 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 ACHE 76/4885ALDH1A1 717/4885PKM 1931/4885
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG ACHE 2913/4885ALDH1A1 3259/4885PKM 2082/4885
US-20070225505-A1 Method for the Preparation of (2S, 3AR, 7AS)-Octahydro-III-Indole-2-Carboxylic Acid as Key Intermediate in the Preparation of Trandolapril by Reacting a Cyclohexyl Aziridine with a Dialkyl Malonate IDO1, TPH1, AGTR1 ACHE 1660/4885ALDH1A1 149/4885PKM 863/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 ACHE 4743/4885ALDH1A1 1019/4885PKM 4657/4885
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK2, JAK1, JAK3 ACHE 4351/4885ALDH1A1 3629/4885PKM 2130/4885

“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.