Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL1110831

C[N+](C)(C)c1cc(Cl)c2cccnc2c1O.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 4/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
ALOX12 P18054 4/20 0.50
MMP14 P50281 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
OPRK1 P41145 3/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
SLC6A2 P23975 2/20 0.50
ALOX15B O15296 1/20 0.50
NR1I2 O75469 1/20 0.50
HTR1A P08908 1/20 0.50

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
SCHEMBL27768369 0.86 KDM4E (0.66) HSP90AA1MEN1KMT2AKDM4EMAPT
SCHEMBL10908982 0.72 MEN1 (0.64) HSP90AA1MEN1KMT2AKDM4EMAPT
SCHEMBL6051170 0.70 KDM4E (0.77) HSP90AA1MEN1KMT2AKDM4EMAPT
Clioquinol SCHEMBL4460424 0.70 HSP90AA1 (0.78) HSP90AA1MEN1KMT2AKDM4EMAPT
Clioquinol SCHEMBL15476935 0.69 MEN1 (0.76) HSP90AA1MEN1KMT2AKDM4EMAPT
Chloroxine SCHEMBL3350 0.69 KDM4E (1.00) HSP90AA1MEN1KMT2AKDM4EMAPT
Chloroxine SCHEMBL29389908 0.69 KDM4E (1.00) HSP90AA1MEN1KMT2AKDM4EMAPT
Chloroxine SCHEMBL29399997 0.69 KDM4E (1.00) HSP90AA1MEN1KMT2AKDM4EMAPT
Clioquinol SCHEMBL4460420 0.68 KDM4E (0.85) HSP90AA1MEN1KMT2AKDM4EMAPT
SCHEMBL4980639 0.68 KDM4E (0.72) HSP90AA1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056509-A1 BOMBESIN ANALOGUES FOR USE IN DIAGNOSIS Piramal Imaging SA (CH) 2016-08-17 EP disclosed
EP-2455105-B1 Bombesin analogues PIRAMAL IMAGING SA (CH) 2016-02-17 EP disclosed
EP-2063918-B1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS PIRAMAL IMAGING SA (CH) 2014-02-26 EP disclosed
US-8557776-B2 Compounds and methods for 18F labeled agents Bayer Pharma AG (DE) 2013-10-15 US disclosed
EP-2455105-A2 Bombesin analogues Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
EP-2289564-A2 Derivatives of aniline as precursors for F18-labeling Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-02 EP disclosed
EP-2279759-A2 Compounds and methods for 18F labeled agents Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 EP disclosed
EP-2146753-A2 18F FLUORO-BENZOYL LABELLED BIOLOGICAL ACTIVE COMPOUNDS AS DIAGNOSTIC IMAGING AGENTS AS WELL AS BENZOTRIAZOL-1-YLOXY-BENZOYL , 2,5-DIOXO-PYRROLIDIN-1-YLOXY)BENZOYL AND TRIMETHYLAMMONIO-BENZOYL PRECURSERS THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-01-27 EP disclosed
US-20090317326-A1 RADIOFLUORINATION METHODS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-24 US disclosed
EP-2063918-A2 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS Bayer Schering Pharma AG (DE) 2009-06-03 EP disclosed
US-20080292548-A1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS Lantheus Biosciences Ltd. (GB) 2008-11-27 US disclosed
WO-2008104203-A2 18F FLUORO-BENZOYL LABELLED BIOLOGICAL ACTIVE COUMPOUNDS AS DIAGNOSITIC IMAGING AGENTS AS WELL AS BENZOTRIAZOL-1-YLOXY-BENZOYL, 2,5-DIOXO-PYRROLIDIN-1-YLOXY) BENZOYL AND TRIMETHYLAMMONIO-BENZOYL PRECURSERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
EP-1964848-A1 Radiofluorination methods Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
WO-2008028688-A2 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
EP-1897885-A1 Compounds and methods for F labelled agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-12 EP 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-20080292548-A1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS QPCT, GBA2, GBA1 HSP90AA1 3875/4885MEN1 56/4885KMT2A 2260/4885
US-20090317326-A1 RADIOFLUORINATION METHODS CDC73, TMEM14C, FLI1 HSP90AA1 3368/4885MEN1 1071/4885KMT2A 3352/4885

“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.