SCHEMBL589317

SCHEMBL589317

CC(C)(O)c1ccccc1[C@H](CCSCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3sc(Cl)c(Cl)c3n2)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 20/20 0.75
CYSLTR1 Q9Y271 20/20 0.75

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
SCHEMBL209124 1.00 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL5971548 1.00 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL227362 1.00 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL3263816 0.94 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL3263812 0.94 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL2125181 0.94 CYSLTR2 (0.67) CYSLTR2CYSLTR1
SCHEMBL2125184 0.94 CYSLTR2 (0.67) CYSLTR2CYSLTR1
SCHEMBL2124624 0.93 CYSLTR2 (0.66) CYSLTR2CYSLTR1
SCHEMBL5601096 0.89 CYSLTR1 (0.66) CYSLTR2CYSLTR1
SCHEMBL5200473 0.85 CYSLTR2 (1.00) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 US claimed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
CN-112279808-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-29 CN disclosed
CN-112250627-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-22 CN disclosed
CN-107690281-B Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2020-11-17 CN disclosed
CN-106163517-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2020-08-14 CN disclosed
CN-110840847-A Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2020-02-28 CN disclosed
US-9687617-B2 Nebulizer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-27 US disclosed
US-20140158118-A1 NEBULIZER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 US disclosed
US-8286632-B2 Dispensing device BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-20080289627-A1 DISPENSING DEVICE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2002067938-A2 TREATING OR REDUCING THE RISK OF CARDIOVASCULAR DISEASE SCHERING CORPORATION (US) 2002-09-06 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 (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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 CYSLTR2 655/4885CYSLTR1 457/4885
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES ABCB1, ABCC4, ABCC1 CYSLTR2 1023/4885CYSLTR1 903/4885

“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.