Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5528683

COc1cc2ncnc(N3CCC(N)CC3)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.63
MAPK1 P28482 1/20 0.60
ACHE P22303 4/20 0.59
BACE1 P56817 4/20 0.59
PDE10A Q9Y233 1/20 0.55
MAPK7 Q13164 1/20 0.55
PDGFRB P09619 1/20 0.54
WHR1 P49842 1/20 0.54
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
AURKA O14965 1/20 0.53

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 SCHEMBL5525772 0.94 ENPP1 (0.58) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL7276406 0.89 ENPP1 (0.73) ENPP1MAPK1ACHEBACE1PDE10A
Hydrochloric Acid SCHEMBL29357602 0.88 ENPP1 (0.72) ENPP1MAPK1ACHEBACE1PDE10A
Hydrochloric Acid SCHEMBL22441562 0.88 ENPP1 (0.72) ENPP1MAPK1ACHEBACE1PDE10A
Trifluoroacetic Acid SCHEMBL4965755 0.86 ENPP1 (0.64) ENPP1MAPK1ACHEBACE1PDE10A
Trifluoroacetic Acid SCHEMBL29589828 0.85 ACHE (0.51) ENPP1MAPK1ACHEBACE1PDE10A
Trifluoroacetic Acid SCHEMBL5075356 0.84 ENPP1 (0.56) ENPP1MAPK1ACHEBACE1PDE10A
Trifluoroacetic Acid SCHEMBL29589546 0.83 ENPP1 (0.57) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL4969095 0.82 MAPK1 (0.74) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL14599443 0.82 ENPP1 (0.67) ENPP1ACHEBACE1PDE10APDE3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ ENPP1 1922/4885MAPK1 1237/4885ACHE 4844/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 ENPP1 2497/4885MAPK1 417/4885ACHE 4535/4885

“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.