Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2284572

Nc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
GAA P10253 4/20 0.69
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
MAPT P10636 7/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAP4K4 O95819 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CSF1R P07333 1/20 0.55
RET P07949 1/20 0.55
IGF1R P08069 1/20 0.55
PDGFRB P09619 1/20 0.55
FGFR1 P11362 1/20 0.55

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
SCHEMBL2287139 0.93 MEN1 (0.76) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL15520341 0.83 SMN1; SMN2 (0.82) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL2285379 0.81 MEN1 (0.69) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL2284438 0.80 MEN1 (0.76) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL38662293 0.77 GAA (0.67) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL2287803 0.77 MEN1 (0.67) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL4399716 0.77 KMT2A (0.67) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL4553701 0.77 SMN1; SMN2 (0.66) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL2284674 0.77 MAPT (0.70) LMNASMN1; SMN2GAARAB9ANPC1
SCHEMBL2281683 0.76 MEN1 (0.66) LMNASMN1; SMN2GAARAB9ANPC1

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
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
US-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US disclosed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US disclosed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US disclosed
WO-2009145996-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-03 WO disclosed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP disclosed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 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-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 LMNA 4622/4885SMN1; SMN2 1018/4885GAA 3867/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 LMNA 4622/4885SMN1; SMN2 1018/4885GAA 3867/4885

“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.