Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4513684

O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](C(=O)O)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.60
ROCK1 Q13464 11/20 0.60
FPR2 P25090 2/20 0.57
MMP12 P39900 3/20 0.52
MMP13 P45452 2/20 0.52
TAAR1 Q96RJ0 1/20 0.44
RPS6KA5 O75582 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3A P49840 1/20 0.43

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 SCHEMBL27744406 1.00 ROCK2 (0.60) ROCK2ROCK1FPR2MMP12MMP13
Trifluoroacetic Acid SCHEMBL4523856 1.00 ROCK2 (0.60) ROCK2ROCK1FPR2MMP12MMP13
SCHEMBL4533295 0.93 ROCK2 (0.68) ROCK2ROCK1FPR2MMP12MMP13
SCHEMBL4529785 0.93 ROCK2 (0.68) ROCK2ROCK1FPR2MMP12MMP13
SCHEMBL4513691 0.84 ROCK2 (0.56) ROCK2ROCK1FPR2MMP12MMP13
SCHEMBL27744401 0.84 ROCK2 (0.56) ROCK2ROCK1FPR2MMP12MMP13
SCHEMBL4523861 0.84 ROCK2 (0.56) ROCK2ROCK1FPR2MMP12MMP13
SCHEMBL4525223 0.83 ROCK1 (0.65) ROCK2ROCK1FPR2MMP12MMP13
SCHEMBL27744457 0.83 ROCK1 (0.65) ROCK2ROCK1FPR2MMP12MMP13
SCHEMBL4515485 0.83 ROCK1 (0.65) ROCK2ROCK1FPR2MMP12MMP13

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885FPR2 3158/4885

“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.