Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3619263

CCOC(=O)c1ccc(-c2cc(-c3cc(C#N)c(N4CCNCC4)[nH]3)ccn2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPT P10636 1/20 0.38
GCGR P47871 1/20 0.37
CDC7 O00311 1/20 0.37
PIM1 P11309 1/20 0.37
CDK9 P50750 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MAPKAPK2 P49137 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
P2RY12 Q9H244 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL13408127 0.94 ALDH1A1 (0.43) ALDH1A1MAPK14MAPK13MAPK12MAPK11
Trifluoroacetic Acid SCHEMBL3620664 0.85 CCNC (0.44) CDC7PIM1CDK9MAPKAPK2L3MBTL1
Trifluoroacetic Acid SCHEMBL3616010 0.85 MAPKAPK2 (0.41) CDC7PIM1CDK9MAPKAPK2HRH4
Trifluoroacetic Acid SCHEMBL3614592 0.84 PIM1 (0.39) CDC7PIM1CDK9MAPKAPK2HRH4
Trifluoroacetic Acid SCHEMBL3610007 0.84 PIM1 (0.37) ALDH1A1CDC7PIM1CDK9MAPKAPK2
Trifluoroacetic Acid SCHEMBL3616676 0.83 MAPKAPK2 (0.39) ALDH1A1MAPTCDC7PIM1CDK9
Trifluoroacetic Acid SCHEMBL3618304 0.82 PRKD1 (0.39) ALDH1A1CDC7PIM1CDK9MAPKAPK2
SCHEMBL14283111 0.82 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11GCGR
Trifluoroacetic Acid SCHEMBL3620145 0.82 MAPKAPK2 (0.52) MAPK14CDC7PIM1CDK9MAPKAPK2
SCHEMBL13408133 0.81 ULK1 (0.43) CDC7PIM1CDK9MAPKAPK2

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
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 ALDH1A1 80/4885MAPK14 2799/4885MAPK13 3365/4885

“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.