Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2496719

CN(C)C(=O)[C@@H](N)CC(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.34
DPP7 Q9UHL4 11/20 0.34
DPP8 Q6V1X1 6/20 0.34
DPP9 Q86TI2 4/20 0.34
GRB2 P62993 1/20 0.32
NOS2 P35228 3/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
KCNH2 Q12809 1/20 0.31
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10556450 0.87 ALOX15 (0.33) DPP4DPP9NOS2NOS3NOS1
Trifluoroacetic Acid SCHEMBL2493179 0.86 DPP8 (0.36) DPP4DPP7DPP8DPP9GRB2
Trifluoroacetic Acid SCHEMBL2493278 0.83 ALOX15 (0.48) DPP4DPP7DPP8DPP9NOS2
Trifluoroacetic Acid SCHEMBL9656367 0.81 DPP4 (0.35) DPP4DPP7DPP8DPP9GRB2
Trifluoroacetic Acid SCHEMBL2496872 0.81 DPP8 (0.38) DPP4DPP7DPP8DPP9GRB2
Trifluoroacetic Acid SCHEMBL2500137 0.81 DPP4 (0.35) DPP4DPP7DPP8DPP9GRB2
Asparagine SCHEMBL30183111 0.79 ALOX15 (0.45) GRB2NOS2NOS3NOS1ALOX15
Asparagine SCHEMBL29663907 0.79 ALOX15 (0.45) GRB2NOS2NOS3NOS1ALOX15
Trifluoroacetic Acid SCHEMBL28216351 0.79 GRB2 (0.36) DPP4DPP7DPP8DPP9GRB2
Trifluoroacetic Acid SCHEMBL3176944 0.79 GRB2 (0.36) DPP4DPP7DPP8DPP9GRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 DPP4 2704/4885DPP7 3265/4885DPP8 2961/4885

“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.