Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3483511

Cc1c(S(=O)(=O)NCP(=O)(O)O)sc2ccc(OCCCN(CCCN)CCCN)cc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PFKFB4 Q16877 4/20 0.36
PFKFB3 Q16875 4/20 0.36
CACNA1B Q00975 7/20 0.34
CACNA1H O95180 1/20 0.34
CMA1 P23946 2/20 0.33
PLA2G2A P14555 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
Trifluoroacetic Acid SCHEMBL3483800 0.98 CA12 (0.38) CA12CA1CA2CA9PFKFB4
SCHEMBL3484384 0.93 PFKFB4 (0.38) PFKFB4PFKFB3CMA1PLA2G2A
Trifluoroacetic Acid SCHEMBL4199110 0.87 CACNA1B (0.34) CA12CA1CA2CA9CACNA1B
Trifluoroacetic Acid SCHEMBL14931254 0.86 CACNA1B (0.35) CA12CA1CA2CA9CACNA1B
Trifluoroacetic Acid SCHEMBL3483985 0.83 CA2 (0.39) CA12CA1CA2CA9CACNA1B
Trifluoroacetic Acid SCHEMBL3483752 0.82 CA2 (0.39) CA12CA1CA2CA9CACNA1B
SCHEMBL4204282 0.80 TRPV4 (0.36) PFKFB4PFKFB3
SCHEMBL3483847 0.80 CMA1 (0.41) PFKFB4PFKFB3CMA1
SCHEMBL3483432 0.79 CMA1 (0.34) PFKFB4PFKFB3CMA1PLA2G2A
SCHEMBL13032311 0.79 TRPV4 (0.35) PFKFB4PFKFB3

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS CA12 3327/4885CA1 3102/4885CA2 440/4885

“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.