Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL911341

NCCCCc1ccc(OCCN(CC(N)=O)CC(N)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
FFAR1 O14842 2/20 0.44
KCNH2 Q12809 3/20 0.43
CACNA1B Q00975 2/20 0.41
F2 P00734 1/20 0.41
CACNA1H O95180 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL11932186 0.92 KCNH2 (0.46) ITGB3ITGA2BFFAR1KCNH2
SCHEMBL910747 0.84 KCNH2 (0.58) CA1CA2ITGB3ITGA2BFFAR1
Trifluoroacetic Acid SCHEMBL911342 0.81 CA12 (0.45) CA12CA1CA2CA9ITGB3
SCHEMBL11932191 0.81 LMNA (0.51)
Trifluoroacetic Acid SCHEMBL4277212 0.79 ALOX5 (0.46) FFAR1
Trifluoroacetic Acid SCHEMBL911345 0.76 CA12 (0.47) CA12CA1CA2CA9ITGB3
Trifluoroacetic Acid SCHEMBL2164745 0.76 CA12 (0.63) CA12CA1CA2CA9ITGB3
SCHEMBL910120 0.74 CA1 (0.54) CA12CA1CA2CA9ITGB3
Trifluoroacetic Acid SCHEMBL9936935 0.73 CA12 (0.59) CA12CA1CA2CA9ITGB3
SCHEMBL873480 0.73 CYP1A2 (0.57) KCNH2

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-8507497-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-08-13 US disclosed
EP-1922073-B1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2013-07-10 EP disclosed
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-08-30 US disclosed
US-8211895-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-03 US disclosed
US-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-01-06 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US disclosed
EP-1922073-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2008-05-21 EP disclosed
WO-2007018640-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-02-15 WO disclosed
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-02-08 US 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 (3 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-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 CA12 1452/4885CA1 1345/4885CA2 165/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 CA12 1452/4885CA1 1345/4885CA2 165/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 CA12 1452/4885CA1 1345/4885CA2 165/4885

“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.