Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8435836

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.36
ALDH1A1 P00352 3/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Trifluoromethanesulfonic Acid SCHEMBL8434762 0.98 CCR5 (0.35) CCR5ALDH1A1NPBWR1MCHR1DPP8
SCHEMBL8440008 0.93 ALDH1A1 (0.37) CCR5ALDH1A1NPBWR1MCHR1MAPT
Trifluoromethanesulfonic Acid SCHEMBL8438684 0.92 PDK1 (0.39) CCR5ALDH1A1DPP8DPP9PDK1
Trifluoromethanesulfonic Acid SCHEMBL9125753 0.89 CCR5 (0.39) CCR5ALDH1A1NPBWR1MCHR1DPP8
SCHEMBL8437058 0.88 NPBWR1 (0.38) ALDH1A1NPBWR1MCHR1DPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL8438656 0.88 CCR5 (0.35) CCR5MCHR1DPP8DPP9PDK1
SCHEMBL8434757 0.86 ALDH1A1 (0.41) ALDH1A1NPBWR1MCHR1DPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL9127836 0.86 CCR5 (0.37) CCR5NPBWR1MCHR1DPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL8576424 0.86 DPP8 (0.35) CCR5NPBWR1MCHR1DPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL8438327 0.85 CCR5 (0.36) CCR5DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed