Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6469223

COc1cc(OC)c2nc(Nc3nc(O)c4cc(OCCN5CCC(O)C5)ccc4n3)nc(C)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
PDK2 Q15119 2/20 0.38
AVPR1B P47901 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LTA4H P09960 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
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 1/20 0.35
RET P07949 1/20 0.35
KIF5B P33176 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 SCHEMBL6469161 0.92 PDK2 (0.39) HRH3PDK2AVPR1BLTA4HMCHR1
Trifluoroacetic Acid SCHEMBL6467099 0.91 RET (0.40) HRH3PDK2AVPR1BKDM4ELTA4H
Trifluoroacetic Acid SCHEMBL6470902 0.90 HRH3 (0.42) HRH3AVPR1BKCNH2DRD3
SCHEMBL6469230 0.90 PDK2 (0.37) HRH3PDK2AVPR1BKDM4ELTA4H
Trifluoroacetic Acid SCHEMBL6469939 0.88 AVPR1B (0.43) AVPR1BAURKBHSD17B10
Trifluoroacetic Acid SCHEMBL6469283 0.87 HRH3 (0.39) HRH3KDM4EMEN1PSMD14APAF1
Trifluoroacetic Acid SCHEMBL6470080 0.86 KDM4E (0.39) KDM4EMEN1PSMD14APAF1MITF
Trifluoroacetic Acid SCHEMBL6469071 0.86 F2 (0.37) HRH3KDM4EMEN1PSMD14APAF1
Trifluoroacetic Acid SCHEMBL6467382 0.85 ALDH1A1 (0.38) KDM4EMEN1PSMD14APAF1MITF
SCHEMBL6469171 0.82 PDK2 (0.38) HRH3PDK2AVPR1BLTA4HMCHR1

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 2 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
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US 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 638/4885PDK2 1267/4885AVPR1B 3769/4885

“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.