Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL952655

CCOC(=O)N1CCN(C(=O)[C@@H](N)CCc2nn[nH]n2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.44
DPP8 Q6V1X1 2/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
P2RY12 Q9H244 3/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP7 Q9UHL4 2/20 0.35
KCNH2 Q12809 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 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 SCHEMBL953473 0.92 P2RY12 (0.42) DPP4DPP8P2RY12NAALAD2SMN1; SMN2
SCHEMBL3661415 0.80 NAALAD2 (0.46) NAALAD2DPP7ALDH1A1GRIN2DGRIN3B
SCHEMBL3634596 0.80 NAALAD2 (0.46) NAALAD2DPP7ALDH1A1GRIN2DGRIN3B
SCHEMBL953282 0.77 P2RY12 (0.45) CA12CA1CA2CA9P2RY12
SCHEMBL953285 0.77 P2RY12 (0.45) CA12CA1CA2CA9P2RY12
Trifluoroacetic Acid SCHEMBL699421 0.77 DPP8 (0.58) DPP4DPP8P2RY12TSHRGAA
Trifluoroacetic Acid SCHEMBL3328761 0.75 DPP8 (0.53) DPP4DPP8TSHRGAAHPGD
Trifluoroacetic Acid SCHEMBL3326803 0.75 DPP4 (0.39) DPP4DPP8P2RY12SMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL3333813 0.71 DPP4 (0.39) DPP4DPP8P2RY12SMN1; SMN2POLB
SCHEMBL952941 0.71 P2RY12 (0.48) P2RY12POLBMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 DPP4 1890/4885DPP8 1720/4885CA12 4268/4885

“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.