Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7075464

CCOC(=O)CC1CCCc2cc(OCCNC(=N)N)ccc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 2/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.38
PPARA Q07869 1/20 0.37
ADRB3 P13945 1/20 0.36
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
BRD4 O60885 1/20 0.35
NPY5R Q15761 1/20 0.35
F10 P00742 1/20 0.34

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 SCHEMBL7075906 0.97 KDM4E (0.42) ITGB3ITGA2BKDM4EPOLBFFAR1
Trifluoroacetic Acid SCHEMBL7075815 0.97 KDM4E (0.41) ITGB3ITGA2BKDM4EPOLBFFAR1
Trifluoroacetic Acid SCHEMBL7075290 0.96 KDM4E (0.41) ITGB3ITGA2BKDM4EPOLBFFAR1
Trifluoroacetic Acid SCHEMBL7075689 0.94 KDM4E (0.42) ITGB3ITGA2BKDM4EPOLBFFAR1
Trifluoroacetic Acid SCHEMBL7071527 0.93 KDM4E (0.41) ITGB3ITGA2BKDM4EPOLBFFAR1
Trifluoroacetic Acid SCHEMBL7071517 0.92 ITGB3 (0.47) ITGB3ITGA2BKDM4EPOLBFFAR1
SCHEMBL7073498 0.90 ITGB3 (0.49) ITGB3ITGA2BKDM4EPOLBFFAR1
Trifluoroacetic Acid SCHEMBL7075130 0.88 FFAR1 (0.42) ITGB3ITGA2BKDM4EPOLBFFAR1
Trifluoroacetic Acid SCHEMBL7075566 0.87 KDM4E (0.41) ITGB3ITGA2BKDM4EPOLBFFAR1
Trifluoroacetic Acid SCHEMBL7071446 0.87 ITGB3 (0.52) ITGB3ITGA2BKDM4EPOLBFFAR1

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 ITGB3 3/4885ITGA2B 7/4885KDM4E 560/4885

“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.