Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6805505

COc1cccc(NC(=O)NCCC(=O)NCC(=O)NC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.50
ITGAV P06756 10/20 0.49
ITGB6 P18564 4/20 0.49
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 0.49
ITGB3 P05106 10/20 0.48
ITGB5 P18084 3/20 0.48
ITGA2B P08514 3/20 0.48
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
MME P08473 1/20 0.42
PKM P14618 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
UTS2R Q9UKP6 1/20 0.41

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 SCHEMBL6806858 0.95 ITGAV (0.53) CASRITGAVITGB6ITGB1ITGA5
SCHEMBL6545895 0.95 CASR (0.55) CASRITGAVITGB6ITGB3ITGB5
Trifluoroacetic Acid SCHEMBL6804033 0.91 ITGB3 (0.48) CASRITGAVITGB6ITGB1ITGA5
SCHEMBL6545853 0.90 ITGAV (0.58) CASRITGAVITGB6ITGB1ITGA5
SCHEMBL6805508 0.90 CASR (0.48) CASRITGAVITGB6ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL6546323 0.89 ITGAV (0.54) CASRITGAVITGB6ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL6806839 0.87 ITGB3 (0.50) CASRITGAVITGB6ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL6806721 0.87 ITGAV (0.50) CASRITGAVITGB6ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL6806159 0.86 ITGB3 (0.53) CASRITGAVITGB6ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL6806864 0.86 ITGAV (0.48) ITGAVITGB6ITGB1ITGA5ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 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-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin ITGB6, ITGAV, ITGB1 CASR 954/4885ITGAV 2/4885ITGB6 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.