Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL918802

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

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
CTSC P53634 3/20 0.33
MMP13 P45452 1/20 0.32
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL1769391 0.91 CA2 (0.41) CA2CTSCMMP13
SCHEMBL2081935 0.91 CA2 (0.41) CA2CTSCMMP13
SCHEMBL919170 0.91 CA2 (0.41) CA2CTSCMMP13
SCHEMBL7765975 0.76 CTSC (0.32) CTSCMMP13
SCHEMBL27542496 0.75 MMP2 (0.43) CA2MMP13
SCHEMBL27542499 0.75 MMP2 (0.43) CA2MMP13
SCHEMBL24425304 0.74 CA2 (0.39) CA2
SCHEMBL6658444 0.74 CA2 (0.39) CA2
Trifluoroacetic Acid SCHEMBL4392857 0.73 NPSR1 (0.38) CTSC
SCHEMBL8374072 0.73 CTSC (0.32) CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906502-B2 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 US disclosed
US-7842684-B2 2-azetidinone derivatives such as N-({4-[(2R,3R)-3-{[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]thio}-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-cyclohexyl-D-alanine, used for the treatment of hyperlipemia ASTRAZENECA AB (SE) 2010-11-30 US disclosed
EP-1699759-B1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-10-20 EP disclosed
US-20100168039-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20090069285-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitor Activity ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 US disclosed
EP-1896459-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS AstraZeneca AB (SE) 2008-03-12 EP disclosed
US-20070142304-A1 Diphenylazetidinone derivatives possessing chloesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2007-06-21 US disclosed
WO-2006137797-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1699758-A1 DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061451-A1 DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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 (5 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-20070142304-A1 Diphenylazetidinone derivatives possessing chloesterol absorption inhibitory activity CYP46A1, CYP51A1, NPC1L1 CA2 2522/4885CTSC 135/4885MMP13 2340/4885
US-20090069285-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitor Activity CYP46A1, NPC1L1, NPC1 CA2 3419/4885CTSC 360/4885MMP13 1927/4885
US-20100168039-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions CYP46A1, NPC1L1, NPC1 CA2 1731/4885CTSC 347/4885MMP13 2381/4885
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 CA2 2644/4885CTSC 150/4885MMP13 2203/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 CA2 2644/4885CTSC 150/4885MMP13 2203/4885

“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.