Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7071463

N=C(N)NCCCCCc1ccc2c(c1)NC(=O)C(CC(=O)O)C2.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.34
ITGAV P06756 5/20 0.34
ITGB1 P05556 3/20 0.34
ITGA5 P08648 3/20 0.34
ITGB2 P05107 2/20 0.34
ITGAL P20701 2/20 0.34
ITGA4 P13612 1/20 0.34
NPY4R P50391 1/20 0.34
PLG P00747 5/20 0.33
KLKB1 P03952 5/20 0.33
ITGB5 P18084 1/20 0.33
ITGB6 P18564 1/20 0.33
PROC P04070 3/20 0.32
F10 P00742 2/20 0.32
ITGA2B P08514 6/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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 SCHEMBL7076704 1.00 ITGB3 (0.34) ITGB3ITGAVITGB1ITGA5ITGB2
Trifluoroacetic Acid SCHEMBL7071717 0.99 ITGB3 (0.35) ITGB3ITGAVITGB1ITGA5ITGB2
SCHEMBL7071473 0.87
SCHEMBL7076718 0.87
SCHEMBL7071731 0.86 KDM4E (0.30)
Trifluoroacetic Acid SCHEMBL7078541 0.86 ITGB3 (0.41) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL7073315 0.85 ALDH1A1 (0.35)
SCHEMBL7076630 0.85 ALDH1A1 (0.35)
Trifluoroacetic Acid SCHEMBL7077479 0.84 ITGB3 (0.32) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7077484 0.84 ITGB3 (0.32) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US claimed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US claimed
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 ITGB3 3/4885ITGAV 1/4885ITGB1 4/4885

“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.