Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5072107

Cc1ccccc1C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 3/20 0.44
MYC P01106 1/20 0.44
BCAT2 O15382 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
CHIT1 Q13231 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
METAP2 P50579 1/20 0.41
POLB P06746 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL1786800 1.00 NPC1 (0.45) NPC1RAB9AHPGDMYCBCAT2
SCHEMBL6099 0.86 ALDH1A1 (0.56) NPC1RAB9AHPGDMYCBCAT2
SCHEMBL1558192 0.86 ALDH1A1 (0.56) NPC1RAB9AHPGDMYCBCAT2
Trifluoroacetic Acid SCHEMBL27999207 0.86 L3MBTL1 (0.44) HPGDMYCBCAT2ALDH1A1L3MBTL1
Toluic Acid SCHEMBL4746481 0.85 ALDH1A1 (0.52) HPGDMYCALDH1A1LMNAHTT
Acetic Acid SCHEMBL30708980 0.84 HPGD (0.50) NPC1RAB9AHPGDMYCBCAT2
Hydroxyamine SCHEMBL8105651 0.84 ALDH1A1 (0.54) NPC1RAB9AHPGDMYCBCAT2
Hydrochloric Acid SCHEMBL4369214 0.84 ALDH1A1 (0.54) NPC1RAB9AHPGDMYCBCAT2
SCHEMBL3870822 0.84 ALDH1A1 (0.54) NPC1RAB9AHPGDMYCBCAT2
Hydrochloric Acid SCHEMBL2915134 0.84 ALDH1A1 (0.54) NPC1RAB9AHPGDMYCBCAT2

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-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS NPC1 4105/4885RAB9A 1322/4885HPGD 1060/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS NPC1 3940/4885RAB9A 1433/4885HPGD 736/4885

“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.