SCHEMBL4173041

SCHEMBL4173041

Cn1nc(C(F)(F)F)c(CO)c1OCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 2/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4169708 0.88 KMT2A (0.33) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL537595 0.87 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL4164008 0.84 KMT2A (0.33) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3753144 0.84 KMT2A (0.33) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3158933 0.84 SMN1; SMN2 (0.36) SMN1; SMN2PKMMAPT
SCHEMBL537606 0.83 SMN1; SMN2 (0.37) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL4159027 0.83 SMN1; SMN2 (0.34) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL537624 0.82 SMN1; SMN2 (0.33) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL28453431 0.80 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL31059427 0.80 MEN1 (0.36) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
EP-1885720-A2 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2008-02-13 EP disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
WO-2006123088-A2 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-11-23 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-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 SMN1; SMN2 1673/4885KMT2A 135/4885MEN1 1520/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 SMN1; SMN2 4014/4885KMT2A 1605/4885MEN1 3398/4885

“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.