Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6467192

COc1cc2nc(Nc3nc(O)c4c(OC(C)C)cccc4n3)nc(C)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 4/20 0.41
EHMT2 Q96KQ7 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 7/20 0.37
TP53 P04637 6/20 0.37
POLB P06746 3/20 0.36
RAD52 P43351 3/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
MITF O75030 1/20 0.35
BLM P54132 1/20 0.35
KRAS P01116 1/20 0.35
SOS1 Q07889 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
Acetic Acid SCHEMBL6469268 0.93 SMN1; SMN2 (0.42) ABCG2KMT2ASMN1; SMN2MAPTTP53
Trifluoroacetic Acid SCHEMBL6470334 0.93 ABCG2 (0.42) WHR1EHMT2ABCG2KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6470070 0.88 KMT2A (0.36) KMT2ASMN1; SMN2MAPTTP53POLB
Trifluoroacetic Acid SCHEMBL6469755 0.86 KMT2A (0.40) WHR1EHMT2ABCG2KMT2ASMN1; SMN2
SCHEMBL6467196 0.85 ABCG2 (0.38) WHR1EHMT2ABCG2KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6467330 0.85 ABCG2 (0.39) WHR1EHMT2ABCG2KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6470578 0.84 TDP2 (0.46) KMT2ASMN1; SMN2MAPTTP53POLB
Trifluoroacetic Acid SCHEMBL6469497 0.82 WHR1 (0.40) WHR1EHMT2ABCG2KMT2AMAPT
SCHEMBL6469270 0.81 SMN1; SMN2 (0.39) ABCG2KMT2ASMN1; SMN2MAPTTP53
Trifluoroacetic Acid SCHEMBL6469224 0.81 ABCG2 (0.41) WHR1EHMT2ABCG2KMT2AMAPT

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 WHR1 4034/4885EHMT2 2664/4885ABCG2 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.