Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6201136

O=C(C=Cc1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.72
ITGB2 P05107 18/20 0.72
ICAM1 P05362 18/20 0.72
PLA2G4A P47712 1/20 0.50

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
SCHEMBL8091330 0.94 ITGAL (0.81) ITGALITGB2ICAM1
Trifluoroacetic Acid SCHEMBL27689457 0.92 ITGAL (0.69) ITGALITGB2ICAM1
SCHEMBL5830196 0.86 ITGAL (0.82) ITGALITGB2ICAM1PLA2G4A
SCHEMBL5829931 0.84 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5830841 0.82 ITGAL (0.77) ITGALITGB2ICAM1PLA2G4A
SCHEMBL5830363 0.82 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL7621048 0.82 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL6498764 0.81 ITGAL (0.75) ITGALITGB2ICAM1
Trifluoroacetic Acid SCHEMBL6201123 0.81 ITGB2 (0.47) ITGALITGB2ICAM1PLA2G4A
SCHEMBL7619718 0.81 ITGAL (0.80) ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM ITGAL 57/4885ITGB2 32/4885ICAM1 1/4885

“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.