SCHEMBL5358010

SCHEMBL5358010

O=C(CBr)c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.46
GSK3B P49841 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CTNNB1 P35222 4/20 0.42
WNT3A P56704 4/20 0.42
TAS2R14 Q9NYV8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
FABP4 P15090 1/20 0.36
CTSS P25774 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL168979 0.84 CTNNB1 (0.57) PTPN1GSK3BLMNAGAACTNNB1
SCHEMBL30013031 0.84 CTNNB1 (0.57) PTPN1GSK3BLMNAGAACTNNB1
SCHEMBL5375712 0.83 YAP1 (0.46) GSK3BLMNAGAACTNNB1WNT3A
SCHEMBL1198865 0.83 CTSS (0.48) PTPN1GSK3BLMNAGAACTNNB1
SCHEMBL5362885 0.83 LMNA (0.42) LMNAGAACTNNB1WNT3ATAS2R14
SCHEMBL7784257 0.81 PTPN1 (0.45) PTPN1GSK3BLMNAPOLB
SCHEMBL9526234 0.81 CTSS (0.49) PTPN1GSK3BCTSS
SCHEMBL23041398 0.80 LMNA (0.48) LMNAGAACTNNB1WNT3ATAS2R14
SCHEMBL1195140 0.78 TAS2R14 (0.51) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL5358162 0.78 PTPN1 (0.48) PTPN1GSK3BLMNAGAACTNNB1

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 4 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

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 3980/4885LMNA 2115/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 PTPN1 3805/4885GSK3B 3980/4885LMNA 2115/4885

“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.