Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3350404

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NOD1 Q9Y239 2/20 0.31
CA2 P00918 2/20 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
SCHEMBL6464164 0.89 KMT2A (0.36) CA1ALOX15BLMPMP22KMT2A
SCHEMBL3353771 0.89 KMT2A (0.36) CA1ALOX15BLMPMP22KMT2A
SCHEMBL6464153 0.89 KMT2A (0.36) CA1ALOX15BLMPMP22KMT2A
SCHEMBL28921611 0.80 KMT2A (0.44) ALOX15BLMPMP22KMT2ANOD1
SCHEMBL27631473 0.80 KMT2A (0.44) ALOX15BLMPMP22KMT2ANOD1
SCHEMBL11785410 0.80 GABRP (0.41) CA12CA1CA9PMP22NOD1
Trifluoroacetic Acid SCHEMBL21518536 0.74 CPA1 (0.40) KMT2A
Trifluoroacetic Acid SCHEMBL7045090 0.72 FFAR3 (0.42) KMT2A
Trifluoroacetic Acid SCHEMBL5069426 0.72 FFAR3 (0.42) KMT2A
Trifluoroacetic Acid SCHEMBL30140901 0.71 BLM (0.43) CA1ALOX15BLMPMP22KMT2A

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 3 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

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 CA12 4191/4885CA1 2672/4885CA9 3773/4885
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 CA12 4160/4885CA1 582/4885CA9 3965/4885

“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.