Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4803583

N[C@H]1COc2ccccc2NC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.43
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL1562673 0.87 PARP1 (0.49) RIPK1PARP1ALDH1A1HPGDHSD17B10
SCHEMBL1562671 0.87 PARP1 (0.49) RIPK1PARP1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4797679 0.86 PARP1 (0.47) RIPK1PARP1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL2235593 0.86 PARP1 (0.47) RIPK1PARP1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL2235597 0.86 PARP1 (0.47) RIPK1PARP1ALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL15956777 0.84 NR3C2 (0.39)
Trifluoroacetic Acid SCHEMBL17332759 0.83 KIF11 (0.38) RIPK1ALDH1A1HPGDHSD17B10KDM4E
Trifluoroacetic Acid SCHEMBL15565133 0.83 KMT2A (0.39) RIPK1HSD17B10KDM4EALOX15GAA
Trifluoroacetic Acid SCHEMBL15565162 0.83 NR3C1 (0.39)
Trifluoroacetic Acid SCHEMBL31663497 0.81 PTPN7 (0.34) RIPK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 US disclosed
EP-2882725-A1 SUBSTITUTED HETERO-AZEPINONES F. Hoffmann-La Roche AG (CH) 2015-06-17 EP disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO disclosed
US-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 US disclosed
US-7098235-B2 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB CO. (US) 2006-08-29 US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 US disclosed
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 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-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES CCNY, CCNE1, CCND3 RIPK1 2747/4885PARP1 122/4885ALDH1A1 2459/4885
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds PYGL, PNLIP, PYGM RIPK1 3009/4885PARP1 1060/4885ALDH1A1 2808/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 RIPK1 2109/4885PARP1 1629/4885ALDH1A1 3723/4885

“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.