Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4251945

CC(C)(C)OC(=O)NC(C)(C)c1nnc2n1CCN(C(=O)OCc1ccccc1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.41
PDE4B Q07343 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
HTT P42858 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP8B1 Q9UNU6 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 1/20 0.38

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
SCHEMBL4251947 0.80 PDE4B (0.38) PDK2PDE4BLIPGMEN1KMT2A
SCHEMBL4245776 0.77 MEN1 (0.44) PDK2MEN1KMT2AP2RX7HTT
SCHEMBL11914883 0.77 GHSR (0.43) PDE4B
SCHEMBL20368927 0.75 MEN1 (0.45) PDK2LIPGMEN1KMT2APDK1
SCHEMBL10095052 0.74 PDK2 (0.54) PDK2MEN1KMT2AP2RX7PTGDR2
SCHEMBL3181614 0.73 MEN1 (0.50) PDK2PDE4BMEN1KMT2AHTT
SCHEMBL1842426 0.70 MEN1 (0.61) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7958941 0.70 MEN1 (0.52) MEN1KMT2AP2RX7HTTNPC1
SCHEMBL14110866 0.70 MEN1 (0.52) PDK2MEN1KMT2AP2RX7HTT
SCHEMBL24326113 0.70 MEN1 (0.51) PDK2MEN1KMT2AHTTPDK1

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 3 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 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

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 PDK2 93/4885PDE4B 3691/4885LIPG 2136/4885

“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.