Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4459808

CN(C)c1cc[n+](C#N)cc1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ KCNH2 Q12809 7/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ GOPC Q9HD26 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ ACHE P22303 5/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ ALDH3A1 P30838 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
SCHEMBL1063959 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRKDM4EHSD17B10
Bromide SCHEMBL384556 0.79 CHKA (0.47) ALDH1A1ALOX15TSHRKDM4EHSD17B10
Hydrochloric Acid SCHEMBL29199774 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL7995708 0.78 CHKA (0.36) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL3630115 0.78 CHKA (0.36) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL161677 0.78 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL4531332 0.78 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRKDM4EHSD17B10
Trifluoromethanesulfonic Acid SCHEMBL31562075 0.78 NSD2 (0.38) NSD2NR2F2KCNH2HSP90AA1CFTR
SCHEMBL1193751 0.75 CHKA (0.32) ALDH1A1ALOX15TSHRKDM4EHSD17B10
Acetonitrile SCHEMBL28221268 0.75 CHKA (0.36) ALDH1A1ALOX15TSHRKDM4EHSD17B10

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-20090253905-A1 PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
EP-1824827-B1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2008-09-17 — — EP disclosed
EP-1824827-A1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT Merck Patent GmbH (DE) 2007-08-29 — — EP disclosed
WO-2006063656-A1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 — — 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 (1 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-20090253905-A1 PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT ARSA, STS, SCLY NSD2 3184/4885NR2F2 3861/4885KCNH2 782/4885

“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.

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