Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3480911

N#Cc1cccc(C(NS(=O)(=O)c2cc3cc(OCCN)c(OCCN)cc3s2)P(=O)(O)O)n1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
AGTR2 P50052 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL3483199 0.94
Trifluoroacetic Acid SCHEMBL3484268 0.83 CACNA1B (0.31) CACNA1B
Trifluoroacetic Acid SCHEMBL3480353 0.82 AR (0.31) CACNA1B
Trifluoroacetic Acid SCHEMBL3480612 0.79 CACNA1B (0.34) CACNA1BITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3480127 0.79 CACNA1B (0.33) CACNA1BITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3480667 0.78 CACNA1B (0.34) CACNA1BITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3480313 0.78 PDPK1 (0.30)
SCHEMBL3483247 0.77 AR (0.33)
SCHEMBL3483911 0.77 TRPV4 (0.31)
Trifluoroacetic Acid SCHEMBL3948690 0.74 PLA2G7 (0.34) CACNA1B

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 2462/4885CTSS 632/4885CTSK 884/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS CACNA1B 405/4885CTSS 510/4885CTSK 796/4885

“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.