Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1456945

NC1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.59
DPP8 Q6V1X1 5/20 0.59
DPP7 Q9UHL4 5/20 0.59
DPP9 Q86TI2 4/20 0.59
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
SLC2A1 P11166 3/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CYP2D6 P10635 2/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
CHKA P35790 1/20 0.43
LSS P48449 1/20 0.43
NOTUM Q6P988 1/20 0.43

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 SCHEMBL1648792 0.85 ITGB3 (0.56) DPP4DPP8DPP7DPP9ITGB3
Trifluoroacetic Acid SCHEMBL6066398 0.85 DPP4 (0.53) DPP4DPP8DPP7DPP9ITGB3
Trifluoroacetic Acid SCHEMBL6066623 0.85 DPP4 (0.53) DPP4DPP8DPP7DPP9ITGB3
Trifluoroacetic Acid SCHEMBL1456260 0.85 DPP4 (0.53) DPP4DPP8DPP7DPP9ITGB3
SCHEMBL223203 0.84 CHKA (0.59) DPP4DPP8DPP7DPP9ITGB3
Trifluoroacetic Acid SCHEMBL4716561 0.83 DPP4 (0.55) DPP4DPP8DPP7DPP9ITGB3
Trifluoroacetic Acid SCHEMBL1922128 0.82 GPR119 (0.48) DPP4DPP8DPP7DPP9HRH4
Trifluoroacetic Acid SCHEMBL17080510 0.82 DPP4 (0.44) DPP4DPP8DPP7DPP9ITGB3
Hydrochloric Acid SCHEMBL784685 0.82 CHKA (0.57) DPP4DPP8DPP7DPP9ITGB3
Hydrochloric Acid SCHEMBL1060872 0.82 CHKA (0.57) DPP4DPP8DPP7DPP9ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910606-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-03-22 US disclosed
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-01-14 US disclosed
EP-1581523-B1 PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-30 EP disclosed
US-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-11 US disclosed
US-7429581-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-09-30 US disclosed
EP-1581523-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-05 EP disclosed
EP-1479678-A1 Pyrazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 US disclosed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO disclosed
EP-1433788-A1 Pyrazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-30 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 (3 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-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS F12, F5, F11 DPP4 1317/4885DPP8 1766/4885DPP7 1560/4885
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors F11, F5, F12 DPP4 1067/4885DPP8 1928/4885DPP7 1461/4885
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS F12, F5, F11 DPP4 1625/4885DPP8 2285/4885DPP7 1870/4885

“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.