Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7073382

CCOC(=O)CC1CCCc2ccc(OCCCN)cc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
ADRB3 P13945 1/20 0.40
BRD4 O60885 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PPARD Q03181 7/20 0.39
PPARG P37231 4/20 0.39
FFAR1 O14842 2/20 0.38
PPARA Q07869 3/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDK2 Q15119 1/20 0.36

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 SCHEMBL7076417 0.97 CA12 (0.43) KDM4EPOLBADRB3BRD4CA12
Trifluoroacetic Acid SCHEMBL7075566 0.96 KDM4E (0.41) KDM4EPOLBADRB3BRD4CA12
Trifluoroacetic Acid SCHEMBL7076601 0.95 KDM4E (0.40) KDM4EPOLBADRB3BRD4CA12
Trifluoroacetic Acid SCHEMBL7075776 0.94 FFAR1 (0.42) KDM4EPOLBBRD4CA12CA1
Trifluoroacetic Acid SCHEMBL7075600 0.94 CA12 (0.43) KDM4EPOLBBRD4CA12CA1
Trifluoroacetic Acid SCHEMBL7075130 0.92 FFAR1 (0.42) KDM4EPOLBADRB3BRD4CA12
Trifluoroacetic Acid SCHEMBL7075300 0.92 CA12 (0.44) KDM4EPOLBBRD4CA12CA1
Trifluoroacetic Acid SCHEMBL7075083 0.91 FFAR1 (0.46) KDM4EPOLBBRD4CA12CA1
Trifluoroacetic Acid SCHEMBL7076799 0.90 FFAR1 (0.43) KDM4EBRD4CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7071241 0.88 FFAR1 (0.46) KDM4EPOLBBRD4CA12CA1

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 KDM4E 560/4885POLB 2825/4885ADRB3 59/4885

“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.