Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2957732

CC#CCn1c(N2CCNCC2)nc2cnn(CCOc3ccccc3)c(=O)c21.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.58
CHRM1 P11229 4/20 0.58
FAP Q12884 5/20 0.47
HTR2C P28335 1/20 0.44
DPP9 Q86TI2 1/20 0.43

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
SCHEMBL13200743 0.94 DPP4 (0.65) DPP4CHRM1FAPHTR2CDPP9
Trifluoroacetic Acid SCHEMBL2964986 0.90 DPP4 (0.56) DPP4CHRM1FAPDPP9
Trifluoroacetic Acid SCHEMBL2952349 0.88 DPP4 (0.60) DPP4CHRM1FAPDPP9
Trifluoroacetic Acid SCHEMBL2959529 0.88 HTR3A (0.48) DPP4CHRM1HTR2C
Trifluoroacetic Acid SCHEMBL2957719 0.87 DPP4 (0.58) DPP4CHRM1FAPDPP9
Trifluoroacetic Acid SCHEMBL2958830 0.87 DPP4 (0.49) DPP4CHRM1FAPHTR2CDPP9
SCHEMBL2957721 0.86 DPP4 (0.55) DPP4CHRM1FAP
Trifluoroacetic Acid SCHEMBL2964812 0.85 DPP4 (0.60) DPP4CHRM1FAPDPP9
Trifluoroacetic Acid SCHEMBL2958977 0.85 DPP4 (0.67) DPP4CHRM1FAPDPP9
Trifluoroacetic Acid SCHEMBL2952261 0.85 DPP4 (0.58) DPP4CHRM1FAPDPP9

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
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
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP 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 DPP4 4422/4885CHRM1 19/4885FAP 4873/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885FAP 3205/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885FAP 3205/4885

“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.