Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL942293

FC(F)(F)Oc1ccc(C2CCNCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
P2RY14 Q15391 3/20 0.52
HTR2C P28335 4/20 0.50
SIGMAR1 Q99720 2/20 0.45
SLC18A3 Q16572 1/20 0.45
EPHX2 P34913 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ITGA2 P17301 2/20 0.41
FAAH O00519 1/20 0.40
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40

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 SCHEMBL21381947 0.92 HTR2C (0.50) EPHX1P2RY14HTR2C
SCHEMBL2298335 0.89 HTR2C (0.61) EPHX1P2RY14HTR2CSIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL4893644 0.88 HTR2C (0.62) EPHX1P2RY14HTR2CSIGMAR1SLC18A3
Trifluoroacetic Acid SCHEMBL381669 0.84 SLC18A3 (0.51) HTR2CSIGMAR1SLC18A3HTR1ASLC6A2
Trifluoroacetic Acid SCHEMBL8528751 0.82 SLC18A3 (0.69) HTR2CSIGMAR1SLC18A3
Trifluoroacetic Acid SCHEMBL6698285 0.81 HTR2C (0.54) P2RY14HTR2CSIGMAR1SLC18A3ITGB3
Trifluoroacetic Acid SCHEMBL2303613 0.81 HTR2C (0.78) P2RY14HTR2CSIGMAR1SLC18A3PDE2A
SCHEMBL25307338 0.80 HTR3A (0.54) EPHX1HTR2C
Tert-Butyl Formate SCHEMBL28752731 0.80 HTR2C (0.47) EPHX1P2RY14HTR2CSIGMAR1SLC18A3
Bicarbonate SCHEMBL9630044 0.79 EPHX2 (0.52) EPHX1EPHX2FAAH

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 11 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-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 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
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-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 (3 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 EPHX1 621/4885P2RY14 4270/4885HTR2C 3938/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 EPHX1 621/4885P2RY14 4270/4885HTR2C 3938/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 EPHX1 650/4885P2RY14 3997/4885HTR2C 1102/4885

“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.