SCHEMBL2690876

SCHEMBL2690876

Cc1ccc(S(=O)(=O)N2C3CCCC32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.74
PKM P14618 3/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
KDM4E B2RXH2 1/20 0.51
MMP2 P08253 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL537069 0.96 ACHE (0.69) ACHEPKMALDH1A1POLBHTT
SCHEMBL2600494 0.94 ACHE (0.67) ACHEPKMALDH1A1POLBHTT
SCHEMBL13830631 0.87 ACHE (0.58) ACHEPKMALDH1A1POLBHTT
SCHEMBL13248930 0.85 ACHE (1.00) ACHEPKMALDH1A1POLBHTT
SCHEMBL19392468 0.85 ACHE (1.00) ACHEPKMALDH1A1POLBHTT
SCHEMBL13069242 0.85 ACHE (1.00) ACHEPKMALDH1A1POLBHTT
SCHEMBL13812162 0.84 ACHE (0.68) ACHEPKMALDH1A1POLBHTT
SCHEMBL27201918 0.82 ACHE (0.53) ACHEPKMALDH1A1POLBHTT
SCHEMBL27201781 0.81 ACHE (0.56) ACHEPKMALDH1A1POLBHTT
SCHEMBL2219351 0.81 ACHE (0.64) ACHEPKMALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF (US) 2010-05-13 US claimed
WO-2008039367-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-03 WO claimed
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
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
US-9156778-B2 Cross-coupled peptide nucleic acids for detection of nucleic acids of pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-13 US disclosed
US-9156778-B2 Cross-coupled peptide nucleic acids for detection of nucleic acids of pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-13 US disclosed
US-9156778-B2 Cross-coupled peptide nucleic acids for detection of nucleic acids of pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-13 US disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 EP disclosed
US-20120322053-A1 CROSS-COUPLED PEPTIDE NUCLEIC ACIDS FOR DETECTION OF NUCLEIC ACIDS OF PATHOGENS APPELLA DANIEL H (US) 2012-12-20 US disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO 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
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-5476846-A Administering anti-thrombotic and anti-asthmatic agent LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-12-19 US disclosed
US-5387709-A Bronchodilator agents, anticoagulants, vasodilation LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-02-07 US disclosed
EP-0472449-B1 Substituted sulfonamides, processes for their preparation and medicines containing them LIPHA (FR) 1994-09-14 EP disclosed
EP-0472449-A2 Substituted sulfonamides, processes for their preparation and medicines containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-02-26 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 ACHE 76/4885PKM 1931/4885ALDH1A1 717/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 ACHE 4743/4885PKM 4657/4885ALDH1A1 1019/4885
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE TERF2, TERF2IP, TCOF1 ACHE 4202/4885PKM 4609/4885ALDH1A1 4707/4885
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK2, JAK1, JAK3 ACHE 4351/4885PKM 2130/4885ALDH1A1 3629/4885

“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.