Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL10277553

N#Cc1cccc(N)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
GSK3B P49841 2/20 0.41
PTPN5 P54829 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
NOTUM Q6P988 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ENPP2 Q13822 1/20 0.40
HTT P42858 1/20 0.39
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 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
Trifluoroacetic Acid SCHEMBL16673835 0.88 FFAR1 (0.51) FFAR1PDK1PDK2PDK3PDK4
SCHEMBL71478 0.82
SCHEMBL29517490 0.82
Trifluoroacetic Acid SCHEMBL10277752 0.81 GSK3B (0.50) PDK1PDK2PDK3PDK4GSK3B
Trifluoroacetic Acid SCHEMBL10277552 0.81 GSK3B (0.50) PDK1PDK2PDK3PDK4GSK3B
Trifluoroacetic Acid SCHEMBL30533120 0.80 PDK1 (0.43) FFAR1PDK1PDK2PDK3PDK4
Trifluoroacetic Acid SCHEMBL27502598 0.80 FFAR1 (0.52) FFAR1PDK1PDK2PDK3PDK4
Trifluoroacetic Acid SCHEMBL29579405 0.80 MAOB (0.46) FFAR1PDK1PDK2PDK3PDK4
Trifluoroacetic Acid SCHEMBL29392220 0.80 PDK1 (0.47) FFAR1PDK1PDK2PDK3PDK4
Trifluoroacetic Acid SCHEMBL27770829 0.80 MAOB (0.46) FFAR1PDK1PDK2PDK3PDK4

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-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA FFAR1 2404/4885PDK1 449/4885PDK2 1069/4885

“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.