Sugi Predict

Sugi Predict / Compounds / Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8434762

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCCN(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 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ NPBWR1 P48145 3/20 0.33
▸ MCHR1 Q99705 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32

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 SCHEMBL8435836 0.98 CCR5 (0.36) CCR5DPP8DPP9NPBWR1MCHR1
SCHEMBL8440008 0.91 ALDH1A1 (0.37) CCR5NPBWR1MCHR1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8438684 0.90 PDK1 (0.39) CCR5DPP8DPP9ALDH1A1PDK1
Trifluoromethanesulfonic Acid SCHEMBL9127836 0.89 CCR5 (0.37) CCR5DPP8DPP9NPBWR1MCHR1
Trifluoromethanesulfonic Acid SCHEMBL8576424 0.88 DPP8 (0.35) CCR5DPP8DPP9NPBWR1MCHR1
Trifluoromethanesulfonic Acid SCHEMBL9125753 0.87 CCR5 (0.39) CCR5DPP8DPP9NPBWR1MCHR1
SCHEMBL8439607 0.87 SMN1; SMN2 (0.39) DPP8DPP9NPBWR1MCHR1ALDH1A1
SCHEMBL8437058 0.86 NPBWR1 (0.38) DPP8DPP9NPBWR1MCHR1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8438656 0.86 CCR5 (0.35) CCR5DPP8DPP9MCHR1PDK1
Trifluoromethanesulfonic Acid SCHEMBL8435997 0.86 DPP8 (0.36) CCR5DPP8DPP9NPBWR1MCHR1

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