Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2991046

CCc1nc2ccc(C=C3SC(Nc4cc(NC(=O)C5CCC5)ccc4Cl)=NC3=O)cc2cc1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.33
CISD1 Q9NZ45 1/20 0.32
PTGDR2 Q9Y5Y4 4/20 0.32
GBA1 P04062 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.31
MCHR1 Q99705 2/20 0.31
MCHR2 Q969V1 1/20 0.31
DHODH Q02127 1/20 0.31
ABL1 P00519 1/20 0.30
HDAC4 P56524 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 SCHEMBL2991042 1.00 EGFR (0.33) EGFRCISD1PTGDR2GBA1NR2E3
SCHEMBL4586168 0.96 PTGDR2 (0.34) EGFRCISD1PTGDR2GBA1NR2E3
SCHEMBL4586161 0.96 PTGDR2 (0.34) EGFRCISD1PTGDR2GBA1NR2E3
Trifluoroacetic Acid SCHEMBL2995750 0.88 ALDH1A1 (0.35) CISD1
Trifluoroacetic Acid SCHEMBL2995754 0.88 ALDH1A1 (0.35) CISD1
Trifluoroacetic Acid SCHEMBL2994088 0.87 GBA1 (0.34) EGFRCISD1PTGDR2GBA1MCHR1
Trifluoroacetic Acid SCHEMBL4585475 0.85 EGFR (0.35) EGFRCISD1NR2E3HDAC4
Trifluoroacetic Acid SCHEMBL4585467 0.85 EGFR (0.35) EGFRCISD1NR2E3HDAC4
Trifluoroacetic Acid SCHEMBL2995877 0.85 FABP3 (0.35) EGFRCISD1GBA1MCHR1MCHR2
Trifluoroacetic Acid SCHEMBL2988931 0.84 GBA1 (0.39) EGFRGBA1MCHR1

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US 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 EGFR 4159/4885CISD1 3112/4885PTGDR2 4536/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 EGFR 2273/4885CISD1 3370/4885PTGDR2 408/4885

“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.