Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6469161

COc1cccc2c(C)nc(Nc3nc(O)c4cc(OCCN5CCC(O)C5)ccc4n3)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
PAX8 Q06710 1/20 0.37
AVPR1B P47901 2/20 0.37
LTA4H P09960 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 2/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
RAF1 P04049 3/20 0.35
BRAF P15056 3/20 0.35
EGFR P00533 2/20 0.35
ITK Q08881 2/20 0.35
MCHR1 Q99705 2/20 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 SCHEMBL6469223 0.92 HRH3 (0.38) PDK2PAX8AVPR1BLTA4HHRH3
Trifluoroacetic Acid SCHEMBL6467099 0.90 RET (0.40) PDK2PAX8AVPR1BLTA4HHRH3
SCHEMBL6469171 0.90 PDK2 (0.38) PDK2AVPR1BLTA4HHRH3KCNH2
Trifluoroacetic Acid SCHEMBL6469283 0.86 HRH3 (0.39) HRH3EGFRRETKIF5B
SCHEMBL6469230 0.82 PDK2 (0.37) PDK2AVPR1BLTA4HHRH3KCNH2
Trifluoroacetic Acid SCHEMBL6470467 0.82 ADORA2A (0.40)
Trifluoroacetic Acid SCHEMBL6470902 0.82 HRH3 (0.42) AVPR1BHRH3KCNH2
Trifluoroacetic Acid SCHEMBL6469939 0.80 AVPR1B (0.43) AVPR1BRAF1
SCHEMBL6467103 0.80 RAF1 (0.38) PDK2AVPR1BLTA4HHRH3KCNH2
Trifluoroacetic Acid SCHEMBL6469150 0.80 RET (0.42) AVPR1BHRH3KCNH2RAF1EGFR

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 PDK2 1267/4885PAX8 3362/4885AVPR1B 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.