Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL578385

C[n+]1ccc2cc(Br)ccc2c1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
KCNH2 Q12809 9/20 0.34
ACHE P22303 3/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL28089267 0.84 CYP2A6 (0.46) CYP2A6NCEH1ACHEKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL20495623 0.84 GPR3 (0.43) CYP2A6KCNH2ACHEKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL29657224 0.84 GPR3 (0.43) CYP2A6KCNH2ACHEKDM4EALDH1A1
Iodide SCHEMBL28404577 0.82 ALDH1A1 (0.46) CYP2A6NCEH1ACHEKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL27891700 0.80 CYP2A6 (0.39) CYP2A6NCEH1ACHETHRBKDM4E
Trifluoromethanesulfonic Acid SCHEMBL4878616 0.77 KCNH2 (0.35) KCNH2ACHEKDM4EMEN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL4883845 0.71 KDM4E (0.42) KCNH2ACHEKDM4EALDH1A1HPGD
Trifluoromethanesulfonic Acid SCHEMBL20495503 0.71 KCNH2 (0.35) KCNH2ACHETHRBKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL29657265 0.70 GPR3 (0.39) KCNH2ACHELMNA
SCHEMBL10325976 0.69 ALDH1A1 (0.50) CYP2A6KDM4EALDH1A1MEN1MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
EP-2556071-B1 KINASE INHIBITORS AND THEIR USE IN TREATING CANCER UNIV HEALTH NETWORK (CA) 2016-08-17 EP disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
US-9139563-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2015-09-22 US disclosed
US-8999968-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-04-07 US disclosed
EP-2417127-B1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2014-02-26 EP disclosed
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-8481525-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY OF HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
EP-2556071-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2013-02-13 EP disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 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 (7 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-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CYP2A6 1968/4885NCEH1 2774/4885KCNH2 2512/4885
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CYP2A6 1968/4885NCEH1 2774/4885KCNH2 2512/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 CYP2A6 2741/4885NCEH1 2787/4885KCNH2 2673/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CYP2A6 1968/4885NCEH1 2774/4885KCNH2 2512/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 CYP2A6 1968/4885NCEH1 2774/4885KCNH2 2512/4885
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 CYP2A6 2741/4885NCEH1 2787/4885KCNH2 2673/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CYP2A6 1968/4885NCEH1 2774/4885KCNH2 2512/4885

“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.