SCHEMBL2522899

SCHEMBL2522899

CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1COS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HSD11B1 P28845 1/20 0.35
GPR119 Q8TDV5 6/20 0.35
NR1H3 Q13133 3/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCB1 P08183 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL5397081 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL1902097 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL21466110 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL9383870 0.91 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL1440010 0.91 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL1439328 0.91 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL26789869 0.91 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL19179977 0.90 UCHL1 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL13662049 0.89 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL16772779 0.88 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349988-B Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors 卡鲁斯治疗有限公司 2021-10-01 CN disclosed
US-10442815-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2019-10-15 US disclosed
WO-2017029521-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS KARUS THERAPEUTICS LTD (GB) 2017-02-23 WO disclosed
EP-2885285-B1 PYRAZOLE DRIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-10-19 EP disclosed
US-9403830-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-02 US disclosed
US-9403830-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-02 US disclosed
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 US disclosed
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 US disclosed
US-8039675-B2 Catalysts JOHNSON MATTHEY PLC (GB) 2011-10-18 US disclosed
US-20100197976-A1 CATALYSTS JOHNSON MATTHEY PLC (GB) 2010-08-05 US disclosed
EP-1849792-B1 Biphosphine ruthenium complexes with chiral diamine ligands as catalysts JOHNSON MATTHEY PLC (GB) 2008-12-10 EP disclosed
EP-1849792-A1 Biphosphine ruthenium complexes with chiral diamine ligands as catalysts Johnson Matthey PLC (GB) 2007-10-31 EP disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
EP-1651657-B1 BIPHOSPHINE RUTHENIUM COMPLEXES WITH CHIRAL DIAMINE LIGANDS AS CATALYSTS JOHNSON MATTHEY PLC (GB) 2007-08-22 EP disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20070066850-A1 Catalysts JOHNSON MATTHEY PLC (GB) 2007-03-22 US disclosed
EP-1651657-A2 BIPHOSPHINE RUTHENIUM COMPLEXES WITH CHIRAL DIAMINE LIGANDS AS CATALYSTS Johnson Matthey PLC (GB) 2006-05-03 EP disclosed
WO-2005007662-A2 BIPHOSPHINE RUTHENIUM COMPLEXES WITH CHIRAL DIAMINE LIGANDE AS CATALYSTS JOHNSON MATTHEY PLC (GB) 2005-01-27 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 (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-20070066850-A1 Catalysts HRH3, PRMT1, HRH4 NR1H2 272/4885CHRM2 131/4885CHRM1 60/4885
US-20100197976-A1 CATALYSTS HRH3, HRH2, PRMT8 NR1H2 277/4885CHRM2 167/4885CHRM1 91/4885
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 NR1H2 3695/4885CHRM2 4728/4885CHRM1 4621/4885
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTB4R2 NR1H2 439/4885CHRM2 954/4885CHRM1 484/4885
US-10442815-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors PIK3CD, PIK3CA, PIK3C2B NR1H2 2881/4885CHRM2 4684/4885CHRM1 4542/4885

“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.