Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2995877

CCc1nc2ccc(C=C3SC(Nc4cc(NC(=O)C5CCC5)ccc4Cl)=NC3=O)cc2c(-c2ccncc2)c1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
EGFR P00533 4/20 0.33
MCHR2 Q969V1 1/20 0.31
MCHR1 Q99705 1/20 0.31
GBA1 P04062 1/20 0.30
CISD1 Q9NZ45 1/20 0.30

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 SCHEMBL2994088 0.89 GBA1 (0.34) EGFRMCHR2MCHR1GBA1CISD1
SCHEMBL2989491 0.86 EGFR (0.34) EGFRMCHR1GBA1CISD1
Trifluoroacetic Acid SCHEMBL4586305 0.86 SRC (0.35) EGFR
Trifluoroacetic Acid SCHEMBL2995873 0.86 SRC (0.35) EGFR
Trifluoroacetic Acid SCHEMBL2988931 0.86 GBA1 (0.39) EGFRMCHR1GBA1
Trifluoroacetic Acid SCHEMBL2991042 0.85 EGFR (0.33) EGFRMCHR2MCHR1GBA1CISD1
Trifluoroacetic Acid SCHEMBL2991046 0.85 EGFR (0.33) EGFRMCHR2MCHR1GBA1CISD1
SCHEMBL2988362 0.85 FABP3 (0.39) FABP3FABP4FABP5CISD1
Trifluoroacetic Acid SCHEMBL2998142 0.84 FABP3 (0.43) FABP3FABP4FABP5CISD1
SCHEMBL4586161 0.81 PTGDR2 (0.34) EGFRMCHR1GBA1CISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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 (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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 FABP3 263/4885FABP4 2558/4885FABP5 1941/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 FABP3 3153/4885FABP4 393/4885FABP5 3323/4885

“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.