SCHEMBL5358162

SCHEMBL5358162

O=C(CBr)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.48
GSK3B P49841 4/20 0.48
CTSS P25774 4/20 0.39
POLB P06746 2/20 0.39
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TYK2 P29597 1/20 0.39
CTSK P43235 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
CNR2 P34972 1/20 0.37
TXNRD1 Q16881 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
SCHEMBL2096065 0.89 CES2 (0.44) PTPN1GSK3BCTSS
SCHEMBL9526409 0.88 TYK2 (0.50) PTPN1GSK3BTYK2
SCHEMBL23364838 0.88 GSK3B (0.42) PTPN1GSK3BCTSSPOLBCTNNB1
SCHEMBL29932768 0.88 TYK2 (0.50) PTPN1GSK3BTYK2
SCHEMBL29932825 0.88 GSK3B (0.42) PTPN1GSK3BCTSSPOLBCTNNB1
SCHEMBL5357999 0.80 CTNNB1 (0.39) CTSSPOLBCTNNB1WNT3ALMNA
SCHEMBL5365219 0.80 GSK3B (0.46) GSK3BCTSSPOLBCTNNB1WNT3A
SCHEMBL168979 0.78 CTNNB1 (0.57) PTPN1GSK3BCTNNB1WNT3ALMNA
SCHEMBL30013031 0.78 CTNNB1 (0.57) PTPN1GSK3BCTNNB1WNT3ALMNA
SCHEMBL5358010 0.78 PTPN1 (0.46) PTPN1GSK3BCTSSPOLBCTNNB1

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-7189863-B2 Process for producing trifluoromethyl-substituted 2-alkoxyacetophenone derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-13 US disclosed
US-20060128976-A1 Process for producing trifluoromethyl-substituted 2-alkoxyacetophenone derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-7053248-B2 brominating a trifluoromethyl-substituted acetophenone with bromine in presence of acetalization agent that is an alkylene diol, reacting the brominated acetal with metal alkoxide thereby converting brominated acetal into ether, hydrolyzing ether in presence of acid catalyst to remove an acetal group CENTRAL GLASS COMPANY, LIMITED (JP) 2006-05-30 US disclosed
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2005-08-04 US disclosed
EP-1546126-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL-SUBSTITUTED 2-ALKOXYACETOPHENONE DERIVATIVES Central Glass Company, Limited (JP) 2005-06-29 EP disclosed
WO-2004014887-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL-SUBSTITUTED 2-ALKOXYACETOPHENONE DERIVATIVES CENTRAL GLASS COMPANY, LIMITED (JP) 2004-02-19 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-20060128976-A1 Process for producing trifluoromethyl-substituted 2-alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 PTPN1 3805/4885GSK3B 3980/4885CTSS 2423/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 PTPN1 3805/4885GSK3B 3980/4885CTSS 2423/4885

“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.