Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3480338

N#Cc1ccc(C(NS(=O)(=O)c2ccc(-c3ccc(OCCCN)c(OCCCN)c3)s2)P(=O)(O)O)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
P2RY14 Q15391 3/20 0.32
MMP13 P45452 1/20 0.31
CACNA1B Q00975 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
S1PR5 Q9H228 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL3483277 0.96 S1PR1 (0.33) S1PR1S1PR3P2RY14MMP13HSD17B1
Trifluoroacetic Acid SCHEMBL3480361 0.88 S1PR1 (0.31) S1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL3480612 0.85 CACNA1B (0.34) CACNA1BITGB3ITGAVITGA2BTRPV4
SCHEMBL3480379 0.84 TRPV4 (0.32) S1PR1S1PR3TRPV4
Trifluoroacetic Acid SCHEMBL3480127 0.83 CACNA1B (0.33) CACNA1BITGB3ITGAVITGA2B
SCHEMBL3483650 0.82
Trifluoroacetic Acid SCHEMBL3484268 0.82 CACNA1B (0.31) CACNA1BTRPV4
Trifluoroacetic Acid SCHEMBL3480474 0.81 CACNA1B (0.32) CACNA1BITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL3483548 0.81 CACNA1B (0.31) CACNA1BTRPV4
Trifluoroacetic Acid SCHEMBL3483538 0.80 CACNA1B (0.31) 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 6 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
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 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 (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 S1PR1 3419/4885S1PR3 3760/4885P2RY14 1410/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS S1PR1 4547/4885S1PR3 4709/4885P2RY14 2833/4885

“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.