Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL940601

O=C(O)C(F)(F)F.O=C1NC(=O)C(CCCN2CCOCC2)(CS(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)N1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
MMP13 P45452 2/20 0.38
MMP12 P39900 1/20 0.38
ADAMTS5 Q9UNA0 3/20 0.38
DRD2 P14416 1/20 0.37
CCR2 P41597 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MDM2 Q00987 1/20 0.35
IKBKB O14920 1/20 0.35
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 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
Trifluoroacetic Acid SCHEMBL943119 0.84 MMP13 (0.41) MMP13MMP12
SCHEMBL940602 0.79 MCHR1 (0.38) MCHR1MMP13MMP12DRD2CCR2
SCHEMBL941298 0.77 MMP13 (0.48) MMP13MMP12ADAMTS5
SCHEMBL941297 0.73 MMP13 (0.45) MMP13MMP12ADAMTS5
SCHEMBL942563 0.72 MCHR1 (0.52) MCHR1DRD2CCR2KDM4EHTR1A
Trifluoroacetic Acid SCHEMBL942607 0.71 MMP13 (0.44) MMP13MMP12
SCHEMBL941706 0.71 MMP13 (0.47) MMP13MMP12
SCHEMBL940748 0.70 MMP13 (0.48) MMP13MMP12ADAMTS5
SCHEMBL942308 0.69 MMP13 (0.46) MMP13MMP12ADAMTS5HTR1AHTR2A
SCHEMBL941824 0.69 MMP13 (0.41) MMP13MMP12ADAMTS5MDM2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 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 (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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MCHR1 4098/4885MMP13 12/4885MMP12 2/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MCHR1 4098/4885MMP13 12/4885MMP12 2/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MCHR1 4098/4885MMP13 12/4885MMP12 2/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MCHR1 4266/4885MMP13 10/4885MMP12 5/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MCHR1 2038/4885MMP13 19/4885MMP12 1/4885

“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.