Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5406483

CC(=O)OCC(=O)[C@@H]1CCCN1.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.38
▸ PRCP P42785 2/20 0.37
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36
▸ CHRNA6 Q15825 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ HTR2A P28223 1/20 0.32
▸ TLR2 O60603 2/20 0.32
▸ HTR2B P41595 1/20 0.32

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 SCHEMBL5406478 1.00 HTR2C (0.38) HTR2CPRCPCHRNB2CHRNA4CHRNA3
SCHEMBL19584360 0.89 PRCP (0.43) HTR2CPRCPKDM4ETLR2HTR2B
Tert-Butyl Formate SCHEMBL28282934 0.80 PRCP (0.35) HTR2CPRCPKDM4ETLR2HTR2B
Trifluoroacetic Acid SCHEMBL5403204 0.78 NOS2 (0.38) HTR2CPRCP
Trifluoroacetic Acid SCHEMBL5403202 0.78 NOS2 (0.38) HTR2CPRCP
Trifluoroacetic Acid SCHEMBL29935426 0.77 PRCP (0.38) HTR2CPRCP
Trifluoroacetic Acid SCHEMBL3332141 0.75 PRCP (0.56) HTR2CPRCPKDM4EHTR2ATLR2
Proline SCHEMBL6986151 0.74 MEN1 (0.42) HTR2CPRCP
Proline SCHEMBL10781489 0.74 MEN1 (0.42) HTR2CPRCP
Trifluoroacetic Acid SCHEMBL28882423 0.74 CYP3A4 (0.41) HTR2CPRCPCHRNB2CHRNA4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173024-B2 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use ORION CORPORATION (FI) 2007-02-06 — — US disclosed
US-20060229254-A1 Compounds having prolyl oligopeptidase inhibitory activity ORION CORPORATION (FI) 2006-10-12 — — US disclosed
EP-1581489-A2 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY ORION CORPORATION (FI) 2005-10-05 — — EP disclosed
US-20050020677-A1 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use ORION CORPORATION (FI) 2005-01-27 — — US disclosed
WO-2004060862-A2 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY ORION CORPORATION (FI) 2004-07-22 — — WO disclosed
US-4626545-A Amino acid derivatives as enzyme inhibitors MERCK & CO., INC. (US) 1986-12-02 — — 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-20060229254-A1 Compounds having prolyl oligopeptidase inhibitory activity PREP, DNPEP, IDE HTR2C 4604/4885PRCP 18/4885CHRNB2 3323/4885
US-20050020677-A1 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use DNPEP, PREP, ANPEP HTR2C 4238/4885PRCP 43/4885CHRNB2 2206/4885

“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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