Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2201738

C#CCO[C@@H]1CN[C@@H](COc2ccccc2Cl)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 4/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
SSTR1 P30872 2/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
CYP2C19 P33261 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL2199374 0.89 SLC6A4 (0.39) SSTR4DPP4PREPFAPDPP8
Trifluoroacetic Acid SCHEMBL2201176 0.75 CHRNB4 (0.54) CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL2202363 0.71 SSTR4 (0.40) SSTR4DPP4PREPFAPDPP8
Trifluoroacetic Acid SCHEMBL23830739 0.68 SLC6A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9SLC6A2
SCHEMBL2200981 0.67 ABCB1 (0.39) SSTR4DPP4PREPFAPDPP8
SCHEMBL4602522 0.66 L3MBTL1 (0.36) SSTR4DPP4PREPFAPDPP8
Trifluoroacetic Acid SCHEMBL21694066 0.64 HDAC1 (0.47) CYP1A2NPC1
SCHEMBL21748810 0.63 SSTR4 (0.53) SSTR4SSTR1MEN1KMT2APKM
SCHEMBL5981851 0.63 MAPT (0.50) CYP3A4MEN1KMT2APKMHPGD
Trifluoroacetic Acid SCHEMBL23091763 0.62 NPC1 (0.45) SSTR4CYP2D6SLC6A2SLC6A4SLC6A3

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
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
EP-1912994-A1 ADENINE DERIVATIVES Merck Patent GmbH (DE) 2008-04-23 EP disclosed
WO-2007017069-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-15 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 SSTR4 4877/4885DPP4 4398/4885PREP 3153/4885

“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.