Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2103901

CC(C)(c1ccccc1)c1cnc[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 9/20 0.45
▸ CYP3A4 P08684 8/20 0.45
▸ HRH4 Q9H3N8 6/20 0.43
▸ HRH3 Q9Y5N1 5/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP19A1 P11511 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ RBP4 P02753 1/20 0.36

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
SCHEMBL2626828 0.87 CYP3A4 (0.50) CYP17A1CYP3A4HRH4HRH3CYP19A1
Trifluoroacetic Acid SCHEMBL2074049 0.72 IDO1 (0.70) CYP3A4HRH4HRH3SMN1; SMN2
SCHEMBL28700033 0.71 CYP3A4 (0.40) CYP17A1CYP3A4HRH4HRH3CYP19A1
4-Imidazolecarboxylic Acid SCHEMBL17143063 0.69 HRH3 (0.53) CYP3A4HRH4HRH3NPC1TP53
SCHEMBL5681197 0.67 CYP3A4 (0.47) CYP17A1CYP3A4HRH4HRH3CYP19A1
Trifluoroacetic Acid SCHEMBL28429332 0.67 CYP1A2 (0.50) RAB9A
Trifluoroacetic Acid SCHEMBL3635857 0.66 HRH3 (0.54) CYP3A4HRH4HRH3NPC1TP53
Trifluoroacetic Acid SCHEMBL27504505 0.65 MAPT (0.44) CYP3A4
SCHEMBL5784709 0.65 CYP17A1 (0.41) CYP17A1CYP3A4HRH4CYP19A1
Trifluoroacetic Acid SCHEMBL28162943 0.65 HRH4 (0.49) CYP3A4HRH4HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 — — EP claimed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — EP claimed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — US claimed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — WO claimed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 — — US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 — — EP disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A CYP17A1 435/4885CYP3A4 38/4885HRH4 109/4885

“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.

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