Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3480127

N#Cc1ccc(C(NS(=O)(=O)c2cc3cc(OCCCCN)c(OCCCCN)cc3s2)P(=O)(O)O)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 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
Trifluoroacetic Acid SCHEMBL3480612 0.98 CACNA1B (0.34) CACNA1BITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL3484268 0.96 CACNA1B (0.31) CACNA1B
SCHEMBL3483243 0.95 TRPV4 (0.31)
SCHEMBL3483723 0.93 TRPV4 (0.31)
Trifluoroacetic Acid SCHEMBL3480667 0.91 CACNA1B (0.34) CACNA1BITGB3ITGAVITGA2B
SCHEMBL3483911 0.90 TRPV4 (0.31)
Trifluoroacetic Acid SCHEMBL3480353 0.88 AR (0.31) CACNA1B
SCHEMBL3483412 0.87 AR (0.33) CA12CA1CA2CA9
SCHEMBL3483247 0.84 AR (0.33) CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3480338 0.83 S1PR1 (0.34) CACNA1BITGB3ITGAVITGA2B

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-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US 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 (2 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 CACNA1B 2462/4885CA12 4357/4885CA1 4284/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS CACNA1B 405/4885CA12 3327/4885CA1 3102/4885

“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.