Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6066960

NCC1CCN(c2ccncn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.56
DPP8 Q6V1X1 3/20 0.56
DPP9 Q86TI2 3/20 0.56
CYP2D6 P10635 1/20 0.56
KCNH2 Q12809 1/20 0.56
GPR119 Q8TDV5 1/20 0.48
RIPK1 Q13546 1/20 0.44
AKT1 P31749 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CHEK1 O14757 2/20 0.43
CHEK2 O96017 2/20 0.43
LSS P48449 1/20 0.43
PRKCQ Q04759 1/20 0.43
SORD Q00796 1/20 0.42
HRH4 Q9H3N8 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
DGAT1 O75907 1/20 0.40
DPP7 Q9UHL4 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL6066639 0.87 CHEK1 (0.52) GPR119RIPK1AKT1CHEK1CHEK2
Triaziquone SCHEMBL6066949 0.86 CYP2D6 (0.45) DPP4DPP8DPP9CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL3371419 0.86 DPP4 (0.62) DPP4DPP8DPP9CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL1456260 0.82 DPP4 (0.53) DPP4DPP8DPP9CYP2D6LSS
Trifluoroacetic Acid SCHEMBL6066398 0.82 DPP4 (0.53) DPP4DPP8DPP9CYP2D6LSS
Trifluoroacetic Acid SCHEMBL6066623 0.82 DPP4 (0.53) DPP4DPP8DPP9CYP2D6LSS
Trifluoroacetic Acid SCHEMBL14812355 0.81 HRH4 (0.48) PRKCQHRH4HRH3
SCHEMBL13745108 0.80 GPR119 (0.52) DPP4DPP8DPP9CYP2D6KCNH2
SCHEMBL21101183 0.79 GPR119 (0.47) DPP4DPP8DPP9CYP2D6KCNH2
Hydrochloric Acid SCHEMBL2948979 0.79 GPR119 (0.51) DPP4DPP8DPP9CYP2D6KCNH2

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 7 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
EP-1349847-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-10-08 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
WO-2002051831-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-04 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 (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 DPP4 3855/4885DPP8 3566/4885DPP9 2009/4885
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa F9, F11, F5 DPP4 2826/4885DPP8 2004/4885DPP9 835/4885

“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.