SCHEMBL16634664

SCHEMBL16634664

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
MAOB P27338 4/20 0.47
PPARG P37231 5/20 0.46
PPARA Q07869 4/20 0.46
ALOX5 P09917 2/20 0.44
LTA4H P09960 2/20 0.43
PPARD Q03181 1/20 0.43
LAP3 P28838 1/20 0.43
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL31370590 0.91 PPARG (0.52) ITGB3ITGA2BPPARGPPARAFFAR1
SCHEMBL29398902 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARA
SCHEMBL29633817 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARA
SCHEMBL30510296 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARA
SCHEMBL118926 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARA
SCHEMBL120595 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARA
SCHEMBL120592 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARA
SCHEMBL29400893 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARA
SCHEMBL31370554 0.89 PPARG (0.52) ITGB3ITGA2BPPARGPPARAALOX5
SCHEMBL25358372 0.89 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 US disclosed
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2018-11-08 US disclosed
US-9700881-B2 Heterocyclic coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2017-07-11 US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 WO disclosed
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2016-08-25 US disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 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 (3 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-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto HAT1, CBR3, CBR1 ITGB3 4021/4885ITGA2B 4502/4885MAOB 611/4885
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI ITGB3 3430/4885ITGA2B 3947/4885MAOB 714/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR ITGB3 3332/4885ITGA2B 3913/4885MAOB 691/4885

“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.