Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL2826879

N#Cc1ccc(-c2ccccc2)cc1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.53
KIF11 P52732 3/20 0.50
PTPN1 P18031 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ACLY P53396 2/20 0.47
KAT6A Q92794 1/20 0.47
MMP3 P08254 1/20 0.46
PDK2 Q15119 1/20 0.44
TSHR P16473 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
SLC22A12 Q96S37 2/20 0.43
MAPT P10636 1/20 0.42
PPARA Q07869 1/20 0.42

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
Benzonitrile SCHEMBL27664681 0.89 TSHR (0.56) PTPN5KIF11PTPN1KAT6ATSHR
Biphenyl SCHEMBL1050411 0.83 PTPN1 (0.58) PTPN5KIF11PTPN1CA12CA1
Biphenyl SCHEMBL2192409 0.81 PTPN1 (0.56) PTPN5KIF11PTPN1CA12CA1
Biphenyl SCHEMBL5410059 0.81 PTPN1 (0.56) PTPN5KIF11PTPN1CA12CA1
Biphenyl SCHEMBL304392 0.81 PTPN1 (0.56) PTPN5KIF11PTPN1CA12CA1
4-Cyanophenol SCHEMBL28386261 0.80 CA2 (0.61) PTPN5KIF11CA12CA1CA2
SCHEMBL72569 0.79 TSHR (0.68) PTPN5KIF11CA12CA1CA2
SCHEMBL1978798 0.79 TSHR (0.68) PTPN5KIF11CA12CA1CA2
Benzene SCHEMBL28680466 0.79 TSHR (0.68) PTPN5KIF11CA12CA1CA2
Water SCHEMBL6336152 0.79 TSHR (0.68) PTPN5KIF11CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108948-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2049472-B1 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBVIE BAHAMAS LTD (BS) 2015-01-21 EP disclosed
US-8829041-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2014-09-09 US disclosed
EP-2231631-A1 CYCLOPROPYL AMINE DERIVATIVES Abbott Laboratories (US) 2010-09-29 EP disclosed
WO-2009079225-A1 CYCLOPROPYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-06-25 WO disclosed
EP-2049472-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS Abbott Laboratories (US) 2009-04-22 EP disclosed
US-20080242653-A1 Cyclopropyl amine derivatives ABBVIE INC. 2008-10-02 US disclosed
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis ABBVIE INC. 2008-01-24 US disclosed
WO-2007150010-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2007-12-27 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 (2 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-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis HRH4, HRH3, HNMT PTPN5 4216/4885KIF11 3936/4885PTPN1 3832/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 PTPN5 4222/4885KIF11 4246/4885PTPN1 3873/4885

“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.