Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL785809

O=C(O)C(F)(F)F.c1ccc(CN(CCC2CCNCC2)Cc2ccccc2)cc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 3/20 0.46
GBA1 P04062 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.44
F2 P00734 2/20 0.42
NPC1 O15118 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGAV P06756 1/20 0.39

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
SCHEMBL784983 0.89 GBA1 (0.56) SLC6A2SLC6A4SLC6A3GBA1
Hydrochloric Acid SCHEMBL22407358 0.80 MEN1 (0.50) SLC6A2SLC6A4GBA1DCUN1D1MEN1
SCHEMBL22482261 0.78 KDM4E (0.46) MEN1KMT2A
SCHEMBL5166106 0.76 MEN1 (0.53) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL18497330 0.75 ACHE (0.45) GBA1F2
SCHEMBL784929 0.75 GBA1 (0.53) SLC6A2SLC6A4GBA1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL6485494 0.74 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL785821 0.74 ACHE (0.49) NPC1
Trifluoroacetic Acid SCHEMBL7723271 0.74 KMT2A (0.60) GBA1ITGB3ITGA2BKMT2ACYP3A4
SCHEMBL5119405 0.74 GBA1 (0.59) SLC6A2SLC6A4SLC6A3GBA1

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SLC6A2 1966/4885SLC6A4 1682/4885SLC6A3 1597/4885

“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.