Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL911345

NCCCCc1ccc(OCCNC(=O)CNCC(N)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
S1PR1 P21453 4/20 0.42
FFAR1 O14842 1/20 0.41
KMT2A Q03164 3/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
MEN1 O00255 1/20 0.41
HRH2 P25021 3/20 0.41
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL11932185 0.83 S1PR1 (0.48) ITGB3ITGA2BS1PR1FFAR1S1PR3
Hydrochloric Acid SCHEMBL910680 0.82 S1PR1 (0.47) ITGB3ITGA2BS1PR1FFAR1S1PR3
Trifluoroacetic Acid SCHEMBL911342 0.80 CA12 (0.45) CA12CA1CA2CA9ITGB3
SCHEMBL911343 0.78 KMT2A (0.41) CA12CA1CA2CA9ITGB3
Trifluoroacetic Acid SCHEMBL911341 0.76 CA12 (0.50) CA12CA1CA2CA9ITGB3
SCHEMBL911404 0.76 S1PR1 (0.57) CA1CA2ITGB3ITGA2BS1PR1
SCHEMBL917743 0.74 PTPN1 (0.46) KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL2164745 0.73 CA12 (0.63) CA12CA1CA2CA9ITGB3
SCHEMBL11932190 0.73 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2328368 0.72 CA1 (0.61) CA12CA1CA2CA9ITGB3

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.