Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1093174

O=C(O)C(F)(F)F.O=C1[C@H](Cc2c(Cl)cc(-c3ccc(F)cc3)cc2Cl)CCN1N1CCOCC1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.39
DPP7 Q9UHL4 9/20 0.39
GRIN2B Q13224 3/20 0.37
DPP8 Q6V1X1 6/20 0.35
DPP9 Q86TI2 3/20 0.35
KCNH2 Q12809 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GPR17 Q13304 1/20 0.33
PRCP P42785 1/20 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 SCHEMBL1093325 0.93 DPP4 (0.35) DPP4DPP7CD274
SCHEMBL1092915 0.83 GRIN2B (0.34) GRIN2BCNR1GPR17
SCHEMBL1092404 0.82 HRH3 (0.40)
SCHEMBL1092406 0.82 HRH3 (0.40)
SCHEMBL1104458 0.82 ROCK2 (0.36) GRIN2BGPR17
SCHEMBL1092828 0.81 GPR119 (0.37) CD274
SCHEMBL1092824 0.81 GPR119 (0.37) CD274
SCHEMBL1092613 0.78 KDM4E (0.33)
SCHEMBL1092616 0.78 KDM4E (0.33)
SCHEMBL1093016 0.78 HRH3 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153807-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2021336-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-06-30 EP disclosed
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BUSH JULIE KAY 2009-04-30 US disclosed
EP-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO 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 (1 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-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 DPP4 405/4885DPP7 513/4885GRIN2B 1958/4885

“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.