Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2268479

CN1CCCC(n2cc3cccc(C(N)=O)c3n2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.51
PARP2 Q9UGN5 5/20 0.44
PARP3 Q9Y6F1 3/20 0.42
BTK Q06187 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
TIPARP Q7Z3E1 3/20 0.41
TNKS O95271 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP12 Q9H0J9 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL30158009 0.93 PARP1 (0.57) PARP1PARP2PARP3TNKSPARP10
Trifluoroacetic Acid SCHEMBL2266964 0.88 PARP1 (0.47) PARP1PARP2PARP3BTK
Trifluoroacetic Acid SCHEMBL2267533 0.88 PARP1 (0.50) PARP1PARP2PARP3BTKTIPARP
Trifluoroacetic Acid SCHEMBL2266049 0.88 PARP1 (0.44) PARP1PARP2PARP3BTK
Trifluoroacetic Acid SCHEMBL2264179 0.87 PARP1 (0.48) PARP1PARP2PARP3BTK
SCHEMBL2263386 0.82 PARP1 (0.43) PARP1PARP2PARP3TIPARPTNKS
Trifluoroacetic Acid SCHEMBL28779522 0.82 PARP1 (0.43) PARP1PARP2PARP3
SCHEMBL2270258 0.81 BTK (0.50) PARP1PARP2PARP3BTKTNKS
Trifluoroacetic Acid SCHEMBL2263381 0.81 PARP1 (0.56) PARP1PARP2PARP3IRAK4TNKS
SCHEMBL2268852 0.80 GAA (0.52) PARP1PARP2PARP3TNKSPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113288892-B Use of poly ADP-ribose polymerase inhibitors against coronaviruses 甫康(上海)健康科技有限责任公司 2024-04-26 CN disclosed
CN-113288892-A Application of poly ADP ribose polymerase inhibitor in resisting coronavirus 甫康(上海)健康科技有限责任公司 2021-08-24 CN disclosed
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 US disclosed
EP-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 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 (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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 PARP1 1/4885PARP2 3/4885PARP3 2/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885PARP2 3/4885PARP3 2/4885

“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.