Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL609882

NCCCc1cccc(C#Cc2cccc(-c3ccccc3)c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.45
FFAR1 O14842 11/20 0.42
FFAR4 Q5NUL3 5/20 0.41
AOC3 Q16853 2/20 0.41
BACE1 P56817 1/20 0.41
HTR6 P50406 1/20 0.38

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 SCHEMBL610813 1.00 PTGES (0.45) PTGESFFAR1FFAR4AOC3BACE1
SCHEMBL234830 0.88 MAOA (0.46) PTGESAOC3HTR6
Trifluoroacetic Acid SCHEMBL614201 0.86 FFAR1 (0.46) PTGESFFAR1FFAR4HTR6
Trifluoroacetic Acid SCHEMBL613505 0.83 HRH4 (0.41) PTGESFFAR1FFAR4
Trifluoroacetic Acid SCHEMBL612774 0.82 FFAR1 (0.40) PTGESFFAR1FFAR4
Trifluoroacetic Acid SCHEMBL613577 0.81 CYP2D6 (0.41) PTGESFFAR1FFAR4
Trifluoroacetic Acid SCHEMBL611293 0.80 HTR2C (0.44) FFAR1FFAR4BACE1
Trifluoroacetic Acid SCHEMBL611604 0.80 FFAR1 (0.44) PTGESFFAR1FFAR4
SCHEMBL234821 0.80 MAOA (0.52) PTGESFFAR1HTR6
Trifluoroacetic Acid SCHEMBL613494 0.79 FFAR1 (0.47) PTGESFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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 (4 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885

“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.