Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793472

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCc1cccc(Cl)c1)-c1ccncc1CC2

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.39
ACHE P22303 4/20 0.36
CHRM2 P08172 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GPR6 P46095 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
FOLH1 Q04609 1/20 0.34
CNR1 P21554 1/20 0.34

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 SCHEMBL4262540 0.93 ROCK2 (0.41) ROCK2KDM4EALDH1A1MAPTGPR6
Trifluoroacetic Acid SCHEMBL1655979 0.93 ROCK2 (0.39) ROCK2KDM4EALDH1A1MAPTGPR6
Trifluoroacetic Acid SCHEMBL4263955 0.91 ALDH1A1 (0.38) ROCK2ACHEALDH1A1
Trifluoroacetic Acid SCHEMBL1656585 0.91 ROCK2 (0.35) ROCK2CNR1
SCHEMBL6793479 0.89 ROCK2 (0.38) ROCK2ACHECHRM2KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4262242 0.87 ADRB3 (0.37) ROCK2NPC1
Trifluoroacetic Acid SCHEMBL4263853 0.87 ROCK2 (0.37) ROCK2MAPT
Trifluoroacetic Acid SCHEMBL1655450 0.87 NAMPT (0.41) ROCK2
Trifluoroacetic Acid SCHEMBL1656607 0.86 CDK2 (0.36) ROCK2
Trifluoroacetic Acid SCHEMBL4263119 0.86 ROCK2 (0.39) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ROCK2 317/4885ACHE 3673/4885CHRM2 3140/4885

“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.