Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2965093

CC#CCn1c(N[C@@H]2CCCC[C@H]2N)nc2cnn(C)c(=O)c21.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.40
DPP4 P27487 6/20 0.40
SYK P43405 1/20 0.36
CHRM1 P11229 1/20 0.35

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 SCHEMBL2952356 1.00 IRAK4 (0.40) IRAK4DPP4SYKCHRM1
SCHEMBL4065711 0.92 DPP4 (0.41) DPP4SYKCHRM1
SCHEMBL13201031 0.92 DPP4 (0.41) DPP4SYKCHRM1
SCHEMBL13201047 0.92 DPP4 (0.41) DPP4SYKCHRM1
SCHEMBL13217465 0.80 KAT2B (0.42) DPP4SYK
SCHEMBL13969617 0.80 KAT2B (0.42) DPP4SYK
Trifluoroacetic Acid SCHEMBL2956677 0.77 DPP4 (0.66) DPP4CHRM1
Trifluoroacetic Acid SCHEMBL2966632 0.75 DPP4 (0.42) DPP4CHRM1
Trifluoroacetic Acid SCHEMBL2957130 0.73 DPP4 (0.55) DPP4CHRM1
Trifluoroacetic Acid SCHEMBL2957440 0.69 DPP4 (0.37) DPP4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (3 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 IRAK4 2757/4885DPP4 4422/4885SYK 3024/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 IRAK4 2242/4885DPP4 1/4885SYK 4116/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 IRAK4 2242/4885DPP4 1/4885SYK 4116/4885

“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.