Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3483645

NCCCOc1cc(C(=O)Nc2ccc3sc(S(=O)(=O)NCP(=O)(O)O)cc3c2)cc(OCCCN)c1OCCCN.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.33
KDR P35968 8/20 0.33
HDAC1 Q13547 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAU P00749 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
F2 P00734 1/20 0.32
TMPRSS6 Q8IU80 1/20 0.32
RAB9A P51151 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 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
SCHEMBL3483292 0.94 KMT2A (0.36) PDGFRBKDRHDAC1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3483609 0.92 BCL9 (0.37) PDGFRBKDRHDAC1S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL3484128 0.91 CA12 (0.36) PDGFRBKDRHDAC1F2TMPRSS6
SCHEMBL3483655 0.90 KMT2A (0.33) PDGFRBKDRHDAC1MEN1KMT2A
SCHEMBL3483512 0.86 BCL9 (0.38) PDGFRBKDRHDAC1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL14931490 0.86 CACNA1B (0.33) S1PR1S1PR3CACNA1B
SCHEMBL3484113 0.84 HDAC1 (0.36) PDGFRBKDRHDAC1MEN1KMT2A
SCHEMBL3483617 0.82 BCL9 (0.36) PDGFRBKDRS1PR4S1PR1S1PR3
SCHEMBL13032365 0.81 KCNQ3 (0.34) PDGFRBKDR
SCHEMBL3484141 0.80 HDAC1 (0.32) PDGFRBKDRHDAC1MEN1KMT2A

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
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US claimed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP claimed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO claimed
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 PDGFRB 1502/4885KDR 4639/4885HDAC1 739/4885

“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.