Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14799239

CN1CCN(CCN(c2ccc(C(=O)OCC(=O)O[C@@H](Cc3c(Cl)c[n+]([O-])cc3Cl)c3ccc(OC(F)F)c(OCC4CC4)c3)cc2OCC2CC2)S(C)(=O)=O)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.62
PDE4B Q07343 20/20 0.62
PDE4C Q08493 20/20 0.62
PDE4D Q08499 20/20 0.62

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
SCHEMBL14799043 0.97 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL14799045 0.97 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL15754489 0.90 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL28391637 0.90 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL17506724 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL17506725 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL15754543 0.87 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL15754541 0.87 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL14799142 0.87 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL14799141 0.87 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760838-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-05-10 EP disclosed
US-9265768-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-02-23 US disclosed
EP-2760838-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-06 EP disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 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-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4B 2/4885PDE4C 5/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4B 2/4885PDE4C 5/4885

“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.