Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL23215528

O=C(O)C(F)(F)F.O=C([C@@H]1CCNC1)N1CCC(Cc2c(O)ccc(Cl)c2Cl)CC1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.40
DDR1 Q08345 1/20 0.38
SFRP1 Q8N474 2/20 0.38
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
SPR P35270 1/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
SLC2A1 P11166 1/20 0.35
FAAH O00519 1/20 0.34
KDM1A O60341 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
SCHEMBL23230442 0.93 SPR (0.38) CCR4DDR1SPRCYP2C9CYP2C19
SCHEMBL29745525 0.93 SPR (0.38) CCR4DDR1SPRCYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL23216083 0.83 CCR4 (0.43) CCR4DDR1SFRP1PARP1PARP2
SCHEMBL23215529 0.83 DDR1 (0.37) CCR4DDR1SFRP1SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL23215307 0.80 CCR4 (0.38) CCR4DDR1SFRP1PARP1PARP2
SCHEMBL29745405 0.75 CCR4 (0.39) CCR4DDR1PARP1SPRCYP2C9
SCHEMBL23230353 0.75 CCR4 (0.39) CCR4DDR1PARP1SPRCYP2C9
Trifluoroacetic Acid SCHEMBL23216323 0.73 CCR4 (0.41) CCR4DDR1SFRP1PARP1PARP2
Trifluoroacetic Acid SCHEMBL23215235 0.73 CCR4 (0.41) CCR4DDR1SFRP1PARP1PARP2
SCHEMBL23230918 0.72 TLR9 (0.37) DDR1SFRP1SLC6A2SLC6A4SLC6A3

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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 CCR4 4637/4885DDR1 2844/4885SFRP1 3904/4885

“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.