Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3990803

Cc1c(Cc2ccc(F)c(C(=O)N3CCn4c(nnc4-c4cccnc4)C3)c2)n[nH]c(=O)c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.62
TNKS O95271 1/20 0.55
PARP6 Q2NL67 1/20 0.55
PARP15 Q460N3 1/20 0.55
PARP14 Q460N5 1/20 0.55
PARP10 Q53GL7 1/20 0.55
TIPARP Q7Z3E1 1/20 0.55
PARP12 Q9H0J9 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
PARP11 Q9NR21 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
PARP3 Q9Y6F1 1/20 0.55

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
SCHEMBL20544670 0.96 PARP1 (0.66) PARP1TNKSPARP6PARP15PARP14
Trifluoroacetic Acid SCHEMBL4248736 0.94 PARP1 (0.67) PARP1TNKSPARP6PARP15PARP14
SCHEMBL3985679 0.91 PARP1 (0.71) PARP1TNKSPARP6PARP15PARP14
Trifluoroacetic Acid SCHEMBL3922864 0.89 PARP1 (0.61) PARP1TNKSPARP6PARP15PARP14
Trifluoroacetic Acid SCHEMBL3986076 0.89 PARP1 (0.62) PARP1TNKSPARP6PARP15PARP14
SCHEMBL20544671 0.86 PARP1 (0.63) PARP1TNKSPARP6PARP15PARP14
Trifluoroacetic Acid SCHEMBL4244172 0.86 PARP1 (0.76) PARP1TNKSPARP6PARP15PARP14
Trifluoroacetic Acid SCHEMBL4250206 0.86 PARP1 (0.60) PARP1TNKSPARP6PARP15PARP14
Trifluoroacetic Acid SCHEMBL4241086 0.86 PARP1 (0.66) PARP1
Trifluoroacetic Acid SCHEMBL3987094 0.85 PARP1 (0.57) PARP1TNKSPARP6PARP15PARP14

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 1/4885TNKS 19/4885PARP6 6/4885

“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.