SCHEMBL5367277

SCHEMBL5367277

O=C(CI)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.66
PTPN1 P18031 2/20 0.66
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
MMP1 P03956 1/20 0.56
SRD5A2 P31213 2/20 0.52
HSD11B1 P28845 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
PDPK1 O15530 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL31557725 0.84 MMP1 (0.62) GSK3BPTPN1CES2CES1MMP1
SCHEMBL26135918 0.83 MMP1 (0.76) GSK3BPTPN1CES2CES1MMP1
SCHEMBL29987081 0.83 PTPN1 (0.75) GSK3BPTPN1CES2CES1MMP1
SCHEMBL10020269 0.82 GSK3B (0.76) GSK3BPTPN1CES1HDAC1HDAC8
SCHEMBL1360049 0.81 PTPN1 (0.68) GSK3BPTPN1CES2CES1MMP1
SCHEMBL2074662 0.81 PTPN1 (0.68) GSK3BPTPN1CES2CES1MMP1
SCHEMBL203931 0.79 GSK3B (1.00) GSK3BPTPN1CES2CES1MMP1
SCHEMBL14435095 0.79 PTPN1 (0.66) GSK3BPTPN1CES2CES1MMP1
SCHEMBL5368857 0.79 CES2 (0.59) GSK3BPTPN1CES2CES1HDAC8
SCHEMBL3102483 0.79 GSK3B (0.66) GSK3BPTPN1CES2CES1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100347166-C Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives CENTRAL GLASS CO LTD (JP) 2007-11-07 CN disclosed
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
CN-1671683-A Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives CENTRAL GLASS CO LTD (JP) 2005-09-21 CN 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 GSK3B 3980/4885PTPN1 3805/4885CES2 148/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 GSK3B 3980/4885PTPN1 3805/4885CES2 148/4885

“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.