Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2396352

CCNC(=O)NCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
PPID Q08752 1/20 0.57
EPHX1 P07099 1/20 0.54
PTPN1 P18031 2/20 0.53
EPHX2 P34913 1/20 0.51
RIPK1 Q13546 1/20 0.51
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALPL P05186 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
TP53 P04637 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL970225 0.90 SMN1; SMN2 (0.70) ALDH1A1MAPTSMN1; SMN2PPIDEPHX1
SCHEMBL11262217 0.83 TP53 (0.64) ALDH1A1MAPTSMN1; SMN2PPIDEPHX1
SCHEMBL714625 0.80 EPHX1 (0.77) ALDH1A1SMN1; SMN2PPIDEPHX1PTPN1
N-Benzylmethylamine SCHEMBL30671659 0.78 MAPT (0.63) ALDH1A1MAPTSMN1; SMN2RIPK1LMNA
Aniline SCHEMBL27840986 0.77 PPIB (0.60) SMN1; SMN2PPIDEPHX1PTPN1EPHX2
Trifluoroacetic Acid SCHEMBL27999393 0.77 CES1 (0.53) ALDH1A1MAPTRIPK1GAAHDAC3
Trifluoroacetic Acid SCHEMBL1191360 0.77 HDAC3 (0.60) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
Alcohol SCHEMBL8617609 0.77 RIPK1 (0.63) ALDH1A1MAPTSMN1; SMN2PPIDEPHX2
Trifluoroacetic Acid SCHEMBL14743831 0.76 CA1 (0.52) ALDH1A1MAPTEPHX2LMNARAB9A
SCHEMBL1053085 0.76 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2PPIDEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ALDH1A1 1552/4885MAPT 2621/4885SMN1; SMN2 3828/4885

“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.