Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3480474

Cc1c(S(=O)(=O)NC(c2ccc(C#N)c(F)c2)P(=O)(O)O)sc2cc(OCCCN)c(OCCCN)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
PFKFB4 Q16877 1/20 0.30
PFKFB3 Q16875 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 SCHEMBL3480462 0.96 PFKFB4 (0.31) PFKFB4PFKFB3
SCHEMBL3483565 0.95 TRPV4 (0.32)
Hydrochloric Acid SCHEMBL3483594 0.94 TRPV4 (0.31)
Trifluoroacetic Acid SCHEMBL3483687 0.92
Trifluoroacetic Acid SCHEMBL3483538 0.92 CACNA1B (0.31) CACNA1BITGB3ITGAVITGA2B
SCHEMBL3483637 0.91 TRPV4 (0.32) PFKFB4PFKFB3
Trifluoroacetic Acid SCHEMBL3484096 0.88 CACNA1B (0.34) CACNA1BITGB3ITGAVITGA2BPFKFB4
Trifluoroacetic Acid SCHEMBL3480618 0.88
SCHEMBL3483361 0.87 TRPV4 (0.30)
Trifluoroacetic Acid SCHEMBL3480612 0.85 CACNA1B (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 7 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 claimed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US claimed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US claimed
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 2462/4885ITGB3 3147/4885ITGAV 3851/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS CACNA1B 405/4885ITGB3 3164/4885ITGAV 3841/4885

“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.