Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6470592

COc1cccc2c(C)nc(Nc3nc(O)c4cc([N+](=O)[O-])cc(C)c4n3)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ABCG2 Q9UNQ0 6/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
ANO2 Q9NQ90 1/20 0.36
TYMS P04818 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CREBBP Q92793 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
KCNJ1 P48048 1/20 0.35

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 SCHEMBL6467088 0.88 TYMS (0.35) ANO1ANO2TYMSALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL6466107 0.87 ABCG2 (0.41) POLBABCG2TYMSALDH1A1KMT2A
SCHEMBL6470593 0.86 POLB (0.37) POLBGAAABCG2TNKSTNKS2
Trifluoroacetic Acid SCHEMBL6468645 0.82 ABCG2 (0.38) GAAABCG2TYMSALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL6468039 0.82 PAX8 (0.40) POLBGAAALDH1A1KMT2APKM
Trifluoroacetic Acid SCHEMBL6470323 0.79 POLB (0.37) POLBGAAALDH1A1KMT2APKM
Trifluoroacetic Acid SCHEMBL6470133 0.79 KMT2A (0.35) GAAALDH1A1KMT2AMEN1MAPT
Trifluoroacetic Acid SCHEMBL6467456 0.79 KMT2A (0.36) POLBGAAALDH1A1KMT2APKM
SCHEMBL6467861 0.79 POLB (0.42) POLBGAAALDH1A1KMT2APKM
Trifluoroacetic Acid SCHEMBL6467171 0.78 KMT2A (0.40) POLBGAAABCG2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB POLB 3/4885GAA 232/4885ABCG2 1526/4885

“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.