SCHEMBL2222073

SCHEMBL2222073

O=S(=O)(Oc1ccc2ccc(O)cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.50
MEN1 O00255 8/20 0.50
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
ESR1 P03372 5/20 0.48
ESR2 Q92731 3/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.38
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.37
AKR1C3 P42330 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
SCHEMBL31299567 0.85 CA1 (0.53) KMT2AMEN1CA1CA2ESR1
SCHEMBL2226088 0.84 CA1 (0.49) KMT2AMEN1CA1CA2CA9
SCHEMBL31440230 0.84 CA1 (0.53) KMT2AMEN1CA1CA2ESR1
SCHEMBL1897441 0.83 KMT2A (0.56) KMT2AMEN1CA1CA2ESR1
SCHEMBL13953557 0.80 KMT2A (0.52) KMT2AMEN1CA1CA2ESR1
SCHEMBL15205101 0.80 MEN1 (0.51) KMT2AMEN1CA1CA2ESR1
SCHEMBL575913 0.78 CA2 (0.51) CA1CA2CA9
SCHEMBL9144711 0.76 CYP1A2 (0.41) KMT2AMEN1ESR1ESR2ATM
SCHEMBL21811659 0.76 CA1 (0.42) KMT2AMEN1CA1CA2ESR1
SCHEMBL12673293 0.75 KMT2A (0.48) KMT2AMEN1CA1CA2ESR1

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 KMT2A 1406/4885MEN1 3096/4885CA1 1469/4885

“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.