Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29627871

CCCN1CCN(c2nccc(-c3nccc(C#Cc4ccc5[nH]ncc5c4)n3)n2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.38
ABL1 P00519 1/20 0.38
HTR1A P08908 4/20 0.38
TRPV1 Q8NER1 2/20 0.36
GRIN1 Q05586 1/20 0.36
ACHE P22303 2/20 0.35
PTPN11 Q06124 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 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
Trifluoroacetic Acid SCHEMBL29627917 0.84 ABL1 (0.36) ACACBABL1TRPV1ACHEROCK2
Trifluoroacetic Acid SCHEMBL29908226 0.83 ACACB (0.40) ACACBTRPV1GRIN1ROCK2ROCK1
Trifluoroacetic Acid SCHEMBL29627947 0.81 ROCK2 (0.42) ABL1TRPV1ROCK2ROCK1
Trifluoroacetic Acid SCHEMBL29628004 0.81 ROCK2 (0.37) ACACBROCK2
SCHEMBL29908262 0.81 ROCK2 (0.39) HTR1AGRIN1ROCK2ROCK1
Trifluoroacetic Acid SCHEMBL29627872 0.80 ACACB (0.38) ACACBABL1TRPV1ROCK2
SCHEMBL29908257 0.79 GRIN2B (0.41) HTR1AROCK2ROCK1
SCHEMBL29908225 0.79 KCNH2 (0.43) ABL1HTR1ATRPV1ROCK2ROCK1
SCHEMBL29627924 0.79 PIK3CA (0.40) HTR1AROCK2ROCK1
SCHEMBL29627972 0.78 ROCK2 (0.38) HTR1AGRIN1ROCK2ROCK1

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-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2022-09-08 US disclosed
EP-4003340-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2022-06-01 EP 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-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, CIT ACACB 1634/4885ABL1 236/4885HTR1A 2175/4885

“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.