Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6469283

COc1cc2nc(Nc3nc(O)c4cc(OCCN5CCCC(O)C5)ccc4n3)nc(C)c2cc1OC.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
HRH3 Q9Y5N1 2/20 0.39
WHR1 P49842 4/20 0.39
EHMT2 Q96KQ7 1/20 0.39
RET P07949 2/20 0.38
KIF5B P33176 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CCR4 P51679 1/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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 SCHEMBL6467099 0.96 RET (0.40) HRH3WHR1EHMT2RETKIF5B
Trifluoroacetic Acid SCHEMBL6469150 0.91 RET (0.42) HRH3WHR1EHMT2RETEGFR
Trifluoroacetic Acid SCHEMBL6469209 0.91 RET (0.43) HRH3EHMT2RETKDM4EEGFR
SCHEMBL6469285 0.90 HRH3 (0.36) HRH3WHR1EHMT2RETKIF5B
Trifluoroacetic Acid SCHEMBL6468678 0.88 HRH3 (0.46) HRH3EHMT2RETKIF5BTLR7
Trifluoroacetic Acid SCHEMBL6471240 0.88 RET (0.43) WHR1EHMT2RETKIF5BKDM4E
Trifluoroacetic Acid SCHEMBL6471255 0.87 RET (0.40) HRH3WHR1EHMT2RETKIF5B
Trifluoroacetic Acid SCHEMBL6470128 0.87 PDK1 (0.41) WHR1EHMT2RETKDM4EMEN1
Trifluoroacetic Acid SCHEMBL6470948 0.87 RET (0.42) HRH3WHR1EHMT2RETKIF5B
Trifluoroacetic Acid SCHEMBL6469223 0.87 HRH3 (0.38) HRH3RETKIF5BKDM4EHSD17B10

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 HRH3 638/4885WHR1 4034/4885EHMT2 2664/4885

“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.