Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3883284

COc1c(C(N)=O)cnc2ccc(/C=S3/CC(=O)N=C3N[C@@H](CO)Cc3ccccc3)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.41
IRAK4 Q9NWZ3 7/20 0.41
CASR P41180 3/20 0.40
AURKA O14965 3/20 0.33
RPS6KB1 P23443 3/20 0.33
PDE4B Q07343 2/20 0.32
KCNH2 Q12809 1/20 0.32
SRC P12931 2/20 0.31
EGFR P00533 1/20 0.31
LCK P06239 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL3892410 0.97 IRAK4 (0.43) JAK3IRAK4CASRAURKARPS6KB1
SCHEMBL3881918 0.87 CASR (0.38) JAK3IRAK4CASRSRCEGFR
SCHEMBL3881367 0.87 IRAK4 (0.43) JAK3IRAK4AURKARPS6KB1PDE4B
SCHEMBL3883320 0.81 IRAK4 (0.37) JAK3IRAK4PDE4BEGFR
SCHEMBL3886266 0.80 IRAK4 (0.37) JAK3IRAK4EGFR
SCHEMBL3880153 0.77 EGFR (0.39) PDE4BSRCEGFR
SCHEMBL14452551 0.77 IRAK4 (0.44) JAK3IRAK4CASRAURKARPS6KB1
SCHEMBL3996368 0.77 EGFR (0.35) JAK3IRAK4AURKARPS6KB1EGFR
SCHEMBL3883496 0.75 EGFR (0.34) JAK3IRAK4EGFRROCK2ROCK1
SCHEMBL3889429 0.75 EGFR (0.34) JAK3IRAK4EGFRROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 JAK3 548/4885IRAK4 2540/4885CASR 4281/4885

“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.