Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7076491

COC(=O)CC1Cc2ccc(OCCNC(=N)N)cc2NC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.35
ITGAV P06756 5/20 0.35
ITGA2B P08514 4/20 0.35
PDK2 Q15119 3/20 0.35
DRD2 P14416 4/20 0.34
F10 P00742 1/20 0.34
NQO2 P16083 3/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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 SCHEMBL7075140 0.97 ITGB3 (0.36) ITGB3ITGAVITGA2BPDK2DRD2
Trifluoroacetic Acid SCHEMBL7073057 0.96 DRD2 (0.36) ITGB3ITGAVITGA2BPDK2DRD2
SCHEMBL7075827 0.95 DRD2 (0.37) ITGB3ITGAVITGA2BDRD2F10
Trifluoroacetic Acid SCHEMBL7075230 0.88 AOC3 (0.36) ITGB3ITGAVITGA2BPDK2DRD2
Trifluoroacetic Acid SCHEMBL7078541 0.88 ITGB3 (0.41) ITGB3ITGAVITGA2BPDK2DRD2
Trifluoroacetic Acid SCHEMBL7075914 0.87 CA12 (0.39) ITGB3ITGAVITGA2BPDK2DRD2
Trifluoroacetic Acid SCHEMBL7071672 0.86 CA12 (0.42) ITGB3ITGAVITGA2BDRD2
Hydrochloric Acid SCHEMBL7071458 0.86 ITGB3 (0.40) ITGB3ITGAVITGA2BF10PPARD
SCHEMBL7078547 0.84 DRD2 (0.35) ITGB3ITGAVITGA2BPDK2DRD2
Hydrochloric Acid SCHEMBL7071498 0.83 ITGB3 (0.42) ITGB3ITGAVITGA2BPPARDPPARA

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-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 1/4885ITGA2B 7/4885

“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.