Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2991044

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4cc(NC(=O)C5CCC5)ccc4Cl)=NC3=O)cc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
RAB9A P51151 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CISD1 Q9NZ45 1/20 0.34
P2RY12 Q9H244 5/20 0.33
ELANE P08246 2/20 0.33
PSMD14 O00487 1/20 0.33
EGFR P00533 2/20 0.33
NPC1 O15118 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
HDAC4 P56524 1/20 0.32
MAPK1 P28482 1/20 0.32
GBA1 P04062 1/20 0.32

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 SCHEMBL5049812 1.00 DHODH (0.38) DHODHRAB9AMEN1KMT2ACISD1
SCHEMBL4586165 0.96 RAB9A (0.37) DHODHRAB9AMEN1KMT2ACISD1
Trifluoroacetic Acid SCHEMBL4585475 0.91 EGFR (0.35) MEN1KMT2ACISD1EGFRHDAC4
Trifluoroacetic Acid SCHEMBL4585467 0.91 EGFR (0.35) MEN1KMT2ACISD1EGFRHDAC4
SCHEMBL4585472 0.89 MEN1 (0.35) DHODHMEN1KMT2ACISD1EGFR
Trifluoroacetic Acid SCHEMBL2995753 0.89 CISD1 (0.35) RAB9AMEN1KMT2ACISD1P2RY12
Trifluoroacetic Acid SCHEMBL5050802 0.89 CISD1 (0.35) RAB9AMEN1KMT2ACISD1P2RY12
Trifluoroacetic Acid SCHEMBL5049982 0.87 DHODH (0.36) DHODHMEN1KMT2APSMD14EGFR
Trifluoroacetic Acid SCHEMBL2994084 0.87 DHODH (0.36) DHODHMEN1KMT2APSMD14EGFR
Trifluoroacetic Acid SCHEMBL4586305 0.85 SRC (0.35) DHODHMEN1KMT2AEGFR

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 DHODH 3049/4885RAB9A 1181/4885MEN1 3889/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 DHODH 2825/4885RAB9A 2892/4885MEN1 37/4885

“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.