Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3027736

Cc1nc(Cl)c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3Cl)c2F)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
PTGES O14684 11/20 0.32
CYP3A4 P08684 2/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
F3 P13726 1/20 0.31
P2RY12 Q9H244 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3035818 0.95 CYP3A4 (0.34) P2RX7PTGESCYP3A4CYP2C9CYP2C19
SCHEMBL13982248 0.83 CHRM4 (0.35) P2RX7PTGES
Trifluoroacetic Acid SCHEMBL13560603 0.83 CYP3A4 (0.42) P2RX7PTGESCYP3A4EGLN2EGLN1
Trifluoroacetic Acid SCHEMBL3023663 0.83 CYP3A4 (0.42) P2RX7PTGESCYP3A4EGLN2EGLN1
Trifluoroacetic Acid SCHEMBL3017399 0.82 CYP3A4 (0.40) PTGESCYP3A4EGLN2EGLN1CYP2C9
Trifluoroacetic Acid SCHEMBL3033032 0.82 MAPK8 (0.37) P2RX7PTGESF3
SCHEMBL3027985 0.81 LMNA (0.34) PTGESCYP3A4CYP2C9CYP2C19HPGD
Trifluoroacetic Acid SCHEMBL3035887 0.81 CYP3A4 (0.41) CYP3A4EGLN2EGLN1CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL3023115 0.81 CYP1A2 (0.37) P2RX7PTGESCYP3A4EGLN2EGLN1
Trifluoroacetic Acid SCHEMBL3022142 0.81 CYP3A4 (0.39) CYP3A4EGLN2EGLN1CYP2C9CYP2C19

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
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 P2RX7 2447/4885PTGES 988/4885CYP3A4 169/4885

“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.