Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3902896

COCCOc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCNCC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.45
F10 P00742 12/20 0.44
IRAK1 P51617 1/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL3910303 1.00 IRAK4 (0.45) IRAK4F10IRAK1NPC1RAB9A
SCHEMBL8285063 0.96 IRAK4 (0.48) IRAK4F10IRAK1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL3904218 0.92 F10 (0.44) IRAK4F10NPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL3904215 0.92 F10 (0.44) IRAK4F10NPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL3900810 0.92 F10 (0.44) IRAK4F10NPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL3901661 0.92 F10 (0.44) IRAK4F10NPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL3914756 0.92 F10 (0.47) IRAK4F10IRAK1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL3901703 0.92 F10 (0.47) IRAK4F10IRAK1NPC1RAB9A
SCHEMBL3905726 0.90 IRAK4 (0.48) IRAK4F10IRAK1NPC1RAB9A
SCHEMBL8285066 0.89 F10 (0.48) IRAK4F10IRAK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
EP-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI IRAK4 1883/4885F10 14/4885IRAK1 742/4885

“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.