SCHEMBL5331625

SCHEMBL5331625

COc1cc(B(O)O)ccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.36
KDR P35968 2/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MGLL Q99685 2/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
NQO2 P16083 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TTR P02766 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL31737879 1.00 ENPP2 (0.36) ENPP2KDRCA1CA2CYP1A1
SCHEMBL30583955 0.95 ENPP2 (0.36) ENPP2KDRCA1CA2CYP1A1
SCHEMBL29062461 0.95 ENPP2 (0.36) ENPP2KDRCA1CA2CYP1A1
SCHEMBL14590780 0.83 ENPP2 (0.40) ENPP2KDRCA1CA2CYP1A1
SCHEMBL6257872 0.79 NPC1 (0.36) CYP1A1CYP1A2CYP1B1NQO2NPC1
SCHEMBL5334814 0.79 NPC1 (0.43) KDRCYP1A2NQO2NPC1RAB9A
SCHEMBL30108108 0.79 NR3C2 (0.40)
SCHEMBL26507116 0.79 NR3C2 (0.40)
SCHEMBL6257880 0.79 NQO2 (0.34) CYP1A1CYP1A2CYP1B1NQO2NPC1
SCHEMBL4709625 0.79 MAPT (0.46) CYP1A1CYP1A2CYP1B1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166746-B2 N-bisaryl- and n-aryl-cycloakylidenyl-αhydroxy-and α-alkoxy acid amides SYNGENTA CROP PROTECTION, INC. (US) 2007-01-23 US disclosed
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides SYNGENTA CROP PROTECTION, INC. 2005-11-03 US disclosed
EP-1534664-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES Syngenta Participations AG (CH) 2005-06-01 EP disclosed
US-20040214721-A1 Novel n-bisaryl- and n-aryl-cycloalkylidenyl-alpha-sulfin- and alpha-sulfonamino acid amides SYNGENTA CROP PROTECTION, INC. 2004-10-28 US disclosed
EP-1399418-A1 NOVEL N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-$G(a)-SULFIN- AND $G(a)-SULFONAMINO ACID AMIDES Syngenta Participations AG (CH) 2004-03-24 EP disclosed
WO-2004011417-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-05 WO disclosed
WO-2003002525-A1 NOVEL N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-$G(a)-SULFIN- AND $G(a)-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-01-09 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 (2 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-20040214721-A1 Novel n-bisaryl- and n-aryl-cycloalkylidenyl-alpha-sulfin- and alpha-sulfonamino acid amides ARSA, SFN, HCCS ENPP2 4248/4885KDR 2202/4885CA1 224/4885
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides CBR3, CBR1, AKR1C3 ENPP2 1300/4885KDR 4395/4885CA1 765/4885

“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.