Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1100653

O=C(O)C(F)(F)F.O=C1NC(=O)[C@@H]([C@@H]2CCCN2)N1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL1099591 0.86 TSHR (0.34) MBTD1L3MBTL3
SCHEMBL1099564 0.86 TSHR (0.34) MBTD1L3MBTL3
SCHEMBL1100289 0.86 TSHR (0.34) MBTD1L3MBTL3
Trifluoroacetic Acid SCHEMBL38654448 0.68 MEN1 (0.36) MBTD1L3MBTL3
SCHEMBL11671872 0.67 GRIN1 (0.35) MBTD1L3MBTL3
Trifluoroacetic Acid SCHEMBL23152383 0.67 SLC6A1 (0.31)
Trifluoroacetic Acid SCHEMBL30493678 0.66 L3MBTL1 (0.38)
Trifluoroacetic Acid SCHEMBL16766253 0.66 KDM1A (0.36) KDM4E
Trifluoroacetic Acid SCHEMBL27717798 0.66 MEN1 (0.39) CYP2C19
Trifluoroacetic Acid SCHEMBL31034688 0.65 MBTD1 (0.41) MBTD1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
EP-1370537-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370537-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074751-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (4 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-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 MBTD1 2248/4885L3MBTL3 3489/4885KDM4E 2253/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 MBTD1 2248/4885L3MBTL3 3489/4885KDM4E 2253/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 MBTD1 2497/4885L3MBTL3 3205/4885KDM4E 2523/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MBTD1 1202/4885L3MBTL3 4143/4885KDM4E 2227/4885

“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.