Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6066580

NCc1cc2cnccc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
LOXL2 Q9Y4K0 4/20 0.44
NR3C1 P04150 9/20 0.43
NR3C2 P08235 9/20 0.43
PGR P06401 6/20 0.43
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
NAMPT P43490 2/20 0.40
CYP2C9 P11712 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL6066464 0.87 LOXL2 (0.56) DAOLOXL2NR3C1NR3C2PGR
Hydrochloric Acid SCHEMBL27140516 0.85 LOXL2 (0.55) DAOLOXL2NR3C1NR3C2PGR
Hydrochloric Acid SCHEMBL27144900 0.85 LOXL2 (0.55) DAOLOXL2NR3C1NR3C2PGR
Trifluoroacetic Acid SCHEMBL23452218 0.79 F2 (0.50) NR3C1NR3C2PGRNAMPTCYP2C9
Trifluoroacetic Acid SCHEMBL29880434 0.79 F2 (0.50) NR3C1NR3C2PGRNAMPTCYP2C9
Trifluoroacetic Acid SCHEMBL23460742 0.77 LOXL2 (0.40) LOXL2NR3C1PGRHRH4HRH3
Trifluoroacetic Acid SCHEMBL19953228 0.75 LOXL2 (0.82) LOXL2
Trifluoroacetic Acid SCHEMBL23452474 0.75 F2 (0.57) NR3C1NR3C2PGRNAMPTCYP2C9
SCHEMBL23452339 0.74 F2 (0.48) DAONR3C1NR3C2PGRNAMPT
SCHEMBL1388086 0.74 DAO (0.46) DAOLOXL2NR3C1NR3C2PGR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067665-B2 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-27 US disclosed
US-6953857-B2 Oxybenzamide derivatives useful for inhibiting factor Xa or viia AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-10-11 US disclosed
US-20050165058-A1 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-28 US disclosed
EP-1349847-B1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
EP-1217000-A1 Inhibitors of factor Xa and factor VIIa Aventis Pharma Deutschland GmbH (DE) 2002-06-26 EP 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 (2 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-20050165058-A1 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla F12, F11, F5 DAO 531/4885LOXL2 31/4885NR3C1 4856/4885
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa F9, F11, F5 DAO 648/4885LOXL2 191/4885NR3C1 4850/4885

“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.