SCHEMBL2222832

SCHEMBL2222832

CCC(Oc1ccc2ccc(OS(=O)(=O)C(F)(F)F)cc2c1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
HSD11B1 P28845 1/20 0.42
CXCR2 P25025 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1C3 P42330 5/20 0.38
AKR1C2 P52895 5/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38
PPARD Q03181 2/20 0.37
HTR1D P28221 5/20 0.37
HTR1A P08908 4/20 0.37
HTR1B P28222 4/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
RECQL P46063 1/20 0.37
CXCR1 P25024 1/20 0.37

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
SCHEMBL2221599 0.82 HSD11B1 (0.44) PPARGPPARAHSD11B1CXCR2SMN1; SMN2
SCHEMBL2224275 0.79 PPARG (0.46) PPARGPPARASMN1; SMN2AKR1C3AKR1C2
SCHEMBL2220644 0.79 AKR1C3 (0.49) PPARGPPARASMN1; SMN2AKR1C3AKR1C2
SCHEMBL2221538 0.78 PPARG (0.45) PPARGPPARASMN1; SMN2AKR1C3AKR1C2
SCHEMBL2225298 0.78 LMNA (0.48) PPARGPPARASMN1; SMN2AKR1C3AKR1C2
SCHEMBL598333 0.77 CA1 (0.50) PPARGHSD11B1CXCR2SMN1; SMN2HTR1D
SCHEMBL24991968 0.76 CXCR2 (0.54) HSD11B1CXCR2AKR1C3AKR1C2PTGS1
SCHEMBL29960316 0.76 CXCR2 (0.54) HSD11B1CXCR2AKR1C3AKR1C2PTGS1
SCHEMBL2113911 0.76 STS (0.47) HSD11B1CXCR2
SCHEMBL1179389 0.75 L3MBTL1 (0.51) PPARGHSD11B1SMN1; SMN2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2012087372-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2011087837-A9 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-09 WO disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 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 (1 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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 PPARG 3476/4885PPARA 3944/4885HSD11B1 3136/4885

“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.