Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5525772

COc1cc2ncnc(N3CCC(N)C3)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.58
PDE3A Q14432 9/20 0.56
PDE3B Q13370 8/20 0.56
MAPK1 P28482 1/20 0.56
PDE10A Q9Y233 10/20 0.55
ACHE P22303 2/20 0.54
BACE1 P56817 2/20 0.54
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52

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 SCHEMBL5528683 0.94 ENPP1 (0.63) ENPP1PDE3APDE3BMAPK1PDE10A
SCHEMBL14599443 0.89 ENPP1 (0.67) ENPP1PDE3APDE3BPDE10AACHE
Trifluoroacetic Acid SCHEMBL4965755 0.88 ENPP1 (0.64) ENPP1PDE3APDE3BMAPK1PDE10A
Trifluoroacetic Acid SCHEMBL5075356 0.86 ENPP1 (0.56) ENPP1PDE3APDE3BMAPK1PDE10A
Trifluoroacetic Acid SCHEMBL29589546 0.83 ENPP1 (0.57) ENPP1PDE3APDE3BMAPK1PDE10A
Trifluoroacetic Acid SCHEMBL29589828 0.83 ACHE (0.51) ENPP1MAPK1PDE10AACHEBACE1
SCHEMBL7276406 0.82 ENPP1 (0.73) ENPP1PDE3APDE3BMAPK1PDE10A
Trifluoroacetic Acid SCHEMBL29589036 0.82 ACHE (0.52) ENPP1PDE3APDE3BMAPK1PDE10A
Trifluoroacetic Acid SCHEMBL29589021 0.82 ENPP1 (0.67) ENPP1MAPK1PDE10AACHEBACE1
Hydrochloric Acid SCHEMBL22441562 0.81 ENPP1 (0.72) ENPP1PDE3APDE3BMAPK1PDE10A

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 1922/4885PDE3A 3303/4885PDE3B 2347/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 ENPP1 2497/4885PDE3A 1892/4885PDE3B 1450/4885

“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.