Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4809946

CCOC(=O)c1c(C(N)=O)sc2c1CCCC2.CCc1nc(N(CC(=O)O)C(=O)c2cccc(CN)c2)cs1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 4/20 0.35
CNR2 P34972 4/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
NPSR1 Q6W5P4 3/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPK1 P28482 3/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
USP2 O75604 1/20 0.33
PTGER2 P43116 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR2 O60603 3/20 0.33

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
Trifluoroacetic Acid SCHEMBL5211226 0.95 PDE4D (0.37) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5206929 0.94 NPSR1 (0.34) MAPTALDH1A1GAANPSR1KDM4E
Trifluoroacetic Acid SCHEMBL5209741 0.90 PDE4D (0.38) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5207793 0.88 PDE4D (0.40) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5207834 0.87 PDE4D (0.41) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL4812316 0.87 ALDH1A1 (0.33) MAPTALDH1A1ADORA3NPSR1KDM4E
Trifluoroacetic Acid SCHEMBL5208994 0.87 ENPP2 (0.36) MAPTALDH1A1GAANPSR1KDM4E
Trifluoroacetic Acid SCHEMBL5206308 0.87 MEN1 (0.31) ALDH1A1NPSR1
Trifluoroacetic Acid SCHEMBL5205966 0.84 PDE4D (0.39) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5211197 0.83 FLT3 (0.36) MAPTALDH1A1GAANPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 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 (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-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 PDE4D 1718/4885MAPT 4785/4885ALDH1A1 1913/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 PDE4D 2584/4885MAPT 4112/4885ALDH1A1 2580/4885

“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.