Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3483300

CCc1c(S(=O)(=O)NCP(=O)(O)O)sc2cc(OCCCN)c(OCCCN)cc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
CACNA1B Q00975 3/20 0.31
CACNA1H O95180 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
STING1 Q86WV6 1/20 0.30

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 SCHEMBL3483295 1.00 CA12 (0.32) CA12CA1CA2CA9ITGB3
SCHEMBL3483542 0.93
SCHEMBL3483310 0.89
SCHEMBL16667024 0.88
SCHEMBL3480846 0.84
SCHEMBL16667387 0.82
SCHEMBL3484104 0.81 CMA1 (0.33)
Hydrochloric Acid SCHEMBL3951226 0.80 CMA1 (0.33)
Hydrochloric Acid SCHEMBL3951236 0.80 CMA1 (0.33)
Trifluoroacetic Acid SCHEMBL3483538 0.79 CACNA1B (0.31) ITGB3ITGAVITGA2BCACNA1B

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 4 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
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO 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.