Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4873354

CN(C1CCC(NCc2cccc3c2OCC3)CC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
AURKA O14965 6/20 0.35
MAPK8 P45983 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
CA2 P00918 2/20 0.33
PTGDR Q13258 2/20 0.33
CA1 P00915 1/20 0.33
LCK P06239 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL4623389 0.95 EPHB4 (0.45) EPHB4L3MBTL1APOBEC3AAPOBEC3GAURKA
Trifluoroacetic Acid SCHEMBL4881433 0.88 L3MBTL1 (0.35) L3MBTL1APOBEC3AAPOBEC3GAURKAMAPK8
Trifluoroacetic Acid SCHEMBL4884964 0.86 PTK2 (0.39) L3MBTL1APOBEC3AAPOBEC3GAURKAMAPK8
Trifluoroacetic Acid SCHEMBL4872749 0.86 PLK1 (0.40) EPHB4L3MBTL1APOBEC3AAPOBEC3GAURKA
Trifluoroacetic Acid SCHEMBL4881085 0.86 PTK2 (0.38) L3MBTL1APOBEC3AAPOBEC3GAURKAMAPK8
Trifluoroacetic Acid SCHEMBL4876720 0.85 PTK2 (0.39) L3MBTL1APOBEC3AAPOBEC3GAURKAMAPK8
Trifluoroacetic Acid SCHEMBL4881253 0.83 MAPK8 (0.41) L3MBTL1APOBEC3AAPOBEC3GAURKAMAPK8
Trifluoroacetic Acid SCHEMBL4883185 0.83 NAMPT (0.46) L3MBTL1APOBEC3AAPOBEC3GAURKAMAPK8
Trifluoroacetic Acid SCHEMBL4881263 0.83 MAPK8 (0.38) L3MBTL1APOBEC3AAPOBEC3GAURKAMAPK8
Trifluoroacetic Acid SCHEMBL4884485 0.83 NAMPT (0.46) MAPK8CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE EPHB4 2769/4885L3MBTL1 4039/4885APOBEC3A 4371/4885

“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.