Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4884485

CN(C1CCC(NCc2cccnc2)CC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.46
ACVR1 Q04771 1/20 0.40
TSHR P16473 1/20 0.39
CA2 P00918 1/20 0.39
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4621971 0.94 NAMPT (0.47) NAMPTACVR1TSHRCA2ALDH1A1
Trifluoroacetic Acid SCHEMBL4886219 0.94 NAMPT (0.39) NAMPTACVR1CA2MAPK8ALDH1A1
Trifluoroacetic Acid SCHEMBL4883185 0.92 NAMPT (0.46) NAMPTCA2MAPK8ALDH1A1
Trifluoroacetic Acid SCHEMBL4877560 0.89 MAPK8 (0.39) NAMPTACVR1MAPK8
Trifluoroacetic Acid SCHEMBL4881253 0.88 MAPK8 (0.41) MAPK8GAA
Trifluoroacetic Acid SCHEMBL4881263 0.88 MAPK8 (0.38) NAMPTACVR1MAPK8
Trifluoroacetic Acid SCHEMBL4882365 0.88 L3MBTL1 (0.39) NAMPTACVR1CA2MAPK8ALDH1A1
Trifluoroacetic Acid SCHEMBL4881085 0.88 PTK2 (0.38) ACVR1CA2MAPK8
SCHEMBL4623102 0.87 MEN1 (0.43) NAMPTACVR1CA2MAPK8ALDH1A1
Trifluoroacetic Acid SCHEMBL4876720 0.87 PTK2 (0.39) ACVR1MAPK8

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 NAMPT 1936/4885ACVR1 3706/4885TSHR 4644/4885

“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.