Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6469971

COc1cc2c(C)nc(Nc3nc(O)c4cccc(F)c4n3)nc2cc1O.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
WHR1 P49842 2/20 0.37
MAPT P10636 5/20 0.36
TP53 P04637 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RAD52 P43351 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PAX8 Q06710 1/20 0.34
AURKB Q96GD4 1/20 0.34

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 SCHEMBL6467189 0.95 ABCG2 (0.41) KMT2AWHR1MAPTTP53MEN1
Trifluoroacetic Acid SCHEMBL6467171 0.93 KMT2A (0.40) KMT2AWHR1MAPTTP53MEN1
Trifluoroacetic Acid SCHEMBL6466274 0.88 KMT2A (0.39) KMT2AWHR1MAPTTP53MEN1
SCHEMBL6469973 0.87 ABCG2 (0.39) KMT2AMAPTTP53MEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6468675 0.86 TACR3 (0.38) KMT2AWHR1MAPTMAPK1POLB
Trifluoroacetic Acid SCHEMBL6470355 0.85 KMT2A (0.35) KMT2AMAPTTP53MEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6467878 0.84 KMT2A (0.47) KMT2AWHR1MAPTTP53MEN1
Trifluoroacetic Acid SCHEMBL6468597 0.84 KMT2A (0.39) KMT2AMAPTTP53MEN1SMN1; SMN2
SCHEMBL6469519 0.84 TP53 (0.41) KMT2AMAPTTP53MEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6469860 0.82 KMT2A (0.38) KMT2AWHR1MAPTSMN1; SMN2ALDH1A1

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 KMT2A 2156/4885WHR1 4034/4885MAPT 3552/4885

“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.