Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1761834

CCC[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4ncc(C(F)(F)F)cc4s3)cc2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.44
CSGALNACT1 Q8TDX6 1/20 0.44
DHODH Q02127 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KIFC1 Q9BW19 4/20 0.37
CFTR P13569 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MCHR1 Q99705 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DHFR P00374 1/20 0.35
TYMS P04818 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL1761764 0.98 DGAT1 (0.46) DGAT1CSGALNACT1DHODHKIFC1CFTR
Trifluoroacetic Acid SCHEMBL1761467 0.94 DGAT1 (0.45) DGAT1CSGALNACT1DHODHKIFC1CFTR
SCHEMBL1762132 0.91 DGAT1 (0.47) DGAT1CSGALNACT1DHODHKIFC1CFTR
Trifluoroacetic Acid SCHEMBL1761830 0.91 DGAT1 (0.46) DGAT1CSGALNACT1DHODHCA1CA2
Trifluoroacetic Acid SCHEMBL1761497 0.90 DGAT1 (0.36) DGAT1CSGALNACT1CA12CA1CA2
SCHEMBL13249246 0.90 DGAT1 (0.46) DGAT1CSGALNACT1DHODHKIFC1CFTR
SCHEMBL1761762 0.88 DGAT1 (0.47) DGAT1CSGALNACT1DHODHCA1CA2
SCHEMBL1761772 0.88 DGAT1 (0.38) DGAT1CSGALNACT1KIFC1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL1761527 0.88 DGAT1 (0.41) DGAT1CSGALNACT1DHODHCFTRPTGDR2
Trifluoroacetic Acid SCHEMBL1761352 0.87 DGAT1 (0.51) DGAT1CSGALNACT1DHODHCA1CA2

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-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US disclosed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 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-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity FABP4, GPR119, PGC DGAT1 486/4885CSGALNACT1 3157/4885DHODH 2149/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC DGAT1 486/4885CSGALNACT1 3157/4885DHODH 2149/4885

“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.