SCHEMBL2270747

SCHEMBL2270747

CCC(Oc1ccc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2c1)C(=O)NC(C)(C)COC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 1/20 0.33
POLB P06746 1/20 0.31
TSHR P16473 2/20 0.31
MMP2 P08253 2/20 0.31
MMP13 P45452 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13583964 0.80 PPARG (0.38) PPARGPPARAAKR1C3AKR1C2POLB
SCHEMBL2224026 0.80 HDAC1 (0.38) CA1CA2AKR1C3SMN1; SMN2
SCHEMBL2222286 0.79 LMNA (0.40) PPARGPPARAAKR1C3AKR1C2TSHR
SCHEMBL2220472 0.79 PPARG (0.38) PPARGPPARAAKR1C3AKR1C2TSHR
SCHEMBL2220493 0.77 PPARA (0.36) PPARGPPARAAKR1C3AKR1C2TSHR
SCHEMBL13583861 0.77 PPARG (0.36) PPARGPPARAAKR1C3AKR1C2TSHR
SCHEMBL2222766 0.77 PPARG (0.36) PPARGPPARAAKR1C3AKR1C2TSHR
SCHEMBL2226088 0.72 CA1 (0.49) CA1CA2AKR1C3TSHRLMNA
SCHEMBL2222832 0.72 PPARG (0.43) PPARGPPARAAKR1C3AKR1C2SMN1; SMN2
SCHEMBL2222560 0.72 LMNA (0.37) PPARGPPARATSHRLMNAHTT

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 3 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-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 CA1 1469/4885CA2 381/4885PPARG 3476/4885

“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.