Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29457433

COc1ncc(C2CCCNC2)cc1C#N.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.46
IRAK4 Q9NWZ3 3/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1E P28566 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
PIK3CD O00329 3/20 0.38
PIK3CA P42336 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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 SCHEMBL30473673 1.00 HTR2A (0.46) HTR2AIRAK4HTR2CHTR2BHTR1A
SCHEMBL25341741 0.89 HTR2A (0.55) HTR2AHTR2CDRD2DRD3CCNT1
Trifluoroacetic Acid SCHEMBL29457613 0.81 PIK3CD (0.35) IRAK4CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25344642 0.74 PIK3CD (0.44) PIK3CDPIK3CA
SCHEMBL27211332 0.74 PIK3CD (0.44) PIK3CDPIK3CA
SCHEMBL25344138 0.72 HTR2A (0.51) HTR2AHTR2CHTR2BHTR1AHTR1D
Trifluoroacetic Acid SCHEMBL29077969 0.72 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL27392410 0.72 HTR2A (0.54) HTR2AHTR2C
SCHEMBL25344019 0.71 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL25343383 0.71 HTR2A (0.44) HTR2AHTR2CCCNT1CDK9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 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 (2 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 HTR2A 852/4885IRAK4 3342/4885HTR2C 1099/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 HTR2A 852/4885IRAK4 3342/4885HTR2C 1099/4885

“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.