Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7073293

CCOC(=O)CC1CCc2cc(OCCN)ccc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.47

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PPARD Q03181 7/20 0.40
BRD4 O60885 1/20 0.39
PPARA Q07869 3/20 0.39
KDM4E B2RXH2 2/20 0.37
MCHR1 Q99705 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
POLB P06746 1/20 0.37

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 SCHEMBL7076799 0.96 FFAR1 (0.43) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7075083 0.95 FFAR1 (0.46) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7071241 0.94 FFAR1 (0.46) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7075130 0.94 FFAR1 (0.42) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7075776 0.91 FFAR1 (0.42) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7075300 0.91 CA12 (0.44) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7076601 0.91 KDM4E (0.40) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7075566 0.90 KDM4E (0.41) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7075600 0.89 CA12 (0.43) FFAR1ITGB3ITGA2BPPARDBRD4
Trifluoroacetic Acid SCHEMBL7071517 0.87 ITGB3 (0.47) FFAR1ITGB3ITGA2BPPARDBRD4

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 disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US disclosed
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 WO 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 FFAR1 485/4885ITGB3 3/4885ITGA2B 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.