Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2379272

C[C@@H](N)C(=O)N1CC(C#N)C1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 12/20 0.44
▸ DPP8 Q6V1X1 8/20 0.44
▸ DPP7 Q9UHL4 5/20 0.41
▸ DPP9 Q86TI2 1/20 0.38

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
SCHEMBL28132789 0.89 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL2455912 0.89 DPP4 (0.47) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL14737849 0.87 DPP4 (0.46) DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL14738523 0.85 DPP4 (0.45) DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL14738473 0.84 DPP8 (0.47) DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL14738122 0.82 DPP4 (0.47) DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL14738175 0.81 DPP4 (0.44) DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL26644150 0.80 DPP7 (0.44) DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL26644155 0.80 DPP7 (0.44) DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL14738383 0.78 DPP4 (0.44) DPP4DPP8DPP7

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 — — EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 — — EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 — — US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 — — US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 — — US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 — — EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 — — WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 — — 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 (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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK DPP4 2131/4885DPP8 3359/4885DPP7 2296/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 DPP4 1636/4885DPP8 2346/4885DPP7 1316/4885

“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.

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