Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4244891

Cc1c(Cc2cccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2)n[nH]c(=O)c1C.O=C(O)C(F)(F)F

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.76
PARP2 Q9UGN5 2/20 0.76
PARP3 Q9Y6F1 2/20 0.76
TIPARP Q7Z3E1 1/20 0.47

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
SCHEMBL20544497 0.98 PARP1 (0.79) PARP1PARP2PARP3TIPARP
SCHEMBL10025715 0.86 PARP1 (1.00) PARP1PARP2PARP3
Trifluoroacetic Acid SCHEMBL3981579 0.85 PARP1 (0.61) PARP1PARP2PARP3
Trifluoroacetic Acid SCHEMBL4244887 0.85 PARP1 (0.61) PARP1PARP2PARP3
SCHEMBL4252874 0.84 PARP1 (0.78) PARP1
Trifluoroacetic Acid SCHEMBL4246186 0.83 PARP1 (0.59) PARP1PARP2PARP3
SCHEMBL20544235 0.82 PARP1 (0.64) PARP1PARP2PARP3
SCHEMBL20544381 0.82 PARP1 (0.64) PARP1PARP2PARP3
Trifluoroacetic Acid SCHEMBL4241086 0.81 PARP1 (0.66) PARP1
SCHEMBL20544501 0.80 PARP1 (0.61) PARP1PARP2PARP3

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-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP claimed
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885PARP3 3/4885

“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.