Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7075689

CCOC(=O)CC1CCCc2ccc(OCCCNC(=N)N)cc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
ADRB3 P13945 1/20 0.39
PPARG P37231 4/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
NPY5R Q15761 1/20 0.37
PPARD Q03181 4/20 0.37
BRD4 O60885 1/20 0.36
PPARA Q07869 1/20 0.36
FFAR1 O14842 1/20 0.36
F10 P00742 2/20 0.35
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LTA4H P09960 2/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
DRD3 P35462 1/20 0.35

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 SCHEMBL7071527 0.98 KDM4E (0.41) KDM4EPOLBADRB3PPARGITGB3
Trifluoroacetic Acid SCHEMBL7075815 0.97 KDM4E (0.41) KDM4EPOLBADRB3PPARGITGB3
Trifluoroacetic Acid SCHEMBL7075906 0.97 KDM4E (0.42) KDM4EPOLBADRB3PPARGITGB3
Trifluoroacetic Acid SCHEMBL7075290 0.95 KDM4E (0.41) KDM4EPOLBADRB3PPARGITGB3
Trifluoroacetic Acid SCHEMBL7075464 0.94 ITGB3 (0.42) KDM4EPOLBADRB3PPARGITGB3
Trifluoroacetic Acid SCHEMBL7071517 0.92 ITGB3 (0.47) KDM4EPOLBPPARGITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7075771 0.90 ITGB3 (0.47) KDM4EPOLBPPARGITGB3ITGA2B
SCHEMBL7075772 0.90 ITGB3 (0.44) KDM4EPOLBADRB3ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7073981 0.88 ITGB3 (0.46) KDM4EPOLBPPARGITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7073382 0.88 KDM4E (0.41) KDM4EPOLBADRB3PPARGPPARD

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.