Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3350406

CCCN(CCC)C(=O)[C@@H](N)CCC(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.44
▸ DPP9 Q86TI2 2/20 0.44
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GRM8 O00222 1/20 0.42
▸ GRM6 O15303 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GSR P00390 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GRIK1 P39086 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ GRIA3 P42263 1/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ GRIA4 P48058 1/20 0.42

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
SCHEMBL3353776 0.91 DPP4 (0.51) DPP4DPP9LMNATDP1HSD17B10
SCHEMBL6464158 0.91 DPP4 (0.51) DPP4DPP9LMNATDP1HSD17B10
SCHEMBL16240125 0.91 DPP4 (0.51) DPP4DPP9LMNATDP1HSD17B10
SCHEMBL844868 0.81 DPP4 (0.49) DPP4DPP9LMNATDP1HSD17B10
SCHEMBL844867 0.81 DPP4 (0.49) DPP4DPP9LMNATDP1HSD17B10
SCHEMBL16240309 0.80 DPP4 (0.47) DPP4DPP9TDP1HSD17B10GRM8
SCHEMBL16240308 0.80 DPP4 (0.47) DPP4DPP9TDP1HSD17B10GRM8
SCHEMBL8913715 0.80 DPP4 (0.47) DPP4DPP9TDP1HSD17B10GRM8
Trifluoroacetic Acid SCHEMBL9875305 0.79 MLYCD (0.39) DPP4TDP1DPP8MLYCDS1PR2
SCHEMBL6659262 0.78 S1PR2 (0.48) DPP4DPP9TDP1HSD17B10CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — 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 (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-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 DPP4 4694/4885DPP9 4555/4885LMNA 507/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP DPP4 111/4885DPP9 194/4885LMNA 479/4885

“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.

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