Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3460138

NCc1cccc(N2CCOCC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
AGXT P21549 1/20 0.54
KMO O15229 1/20 0.53
KLKB1 P03952 2/20 0.50
KLK1 P06870 1/20 0.50
NCF1 P14598 1/20 0.48
AOC3 Q16853 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
ALKBH1 Q13686 1/20 0.44
LRRK2 Q5S007 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL108136 0.86 AGXT (0.69) AGXTKMOKLKB1KLK1NCF1
SCHEMBL30151165 0.79 KMO (0.58) L3MBTL1AGXTKMOAOC3MEN1
SCHEMBL6583384 0.78 ITGB3 (0.64) AGXTKMOKLKB1KLK1AOC3
Ammonia Solution, Strong SCHEMBL3821783 0.78 AGXT (0.59) L3MBTL1AGXTKMOAOC3MEN1
SCHEMBL5177552 0.77 AGXT (0.61) AGXTKMOKLKB1KLK1AOC3
SCHEMBL17420730 0.76 KMO (0.58) L3MBTL1KMOMEN1KMT2APLOD2
SCHEMBL30628288 0.76 KMO (0.58) L3MBTL1KMOMEN1KMT2APLOD2
SCHEMBL3460142 0.76 L3MBTL1 (0.51) L3MBTL1AGXTKMOKLKB1KLK1
SCHEMBL27857403 0.75 HTR1A (0.50) MEN1KMT2AITGB3ITGA2BSMN1; SMN2
SCHEMBL27662780 0.75 AGXT (0.56) L3MBTL1AGXTNCF1ITGB3ITGA2B

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
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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 (1 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 L3MBTL1 2736/4885AGXT 1689/4885KMO 857/4885

“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.