Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2954702

CCC=CCn1c(N2CCNCC2)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 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.40
CHRM1 P11229 2/20 0.39
HRH4 Q9H3N8 2/20 0.35
HTR3A P46098 2/20 0.34
SOS1 Q07889 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
BRD9 Q9H8M2 1/20 0.33

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 SCHEMBL2954700 1.00 DPP4 (0.40) DPP4CHRM1HRH4HTR3ASOS1
Trifluoroacetic Acid SCHEMBL2965671 0.92 DPP4 (0.41) DPP4CHRM1HRH4HTR3ASOS1
Trifluoroacetic Acid SCHEMBL2965667 0.92 DPP4 (0.41) DPP4CHRM1HRH4HTR3ASOS1
SCHEMBL13200894 0.91 DPP4 (0.43) DPP4CHRM1HTR3ABRD9
Trifluoroacetic Acid SCHEMBL2966169 0.88 DPP4 (0.54) DPP4CHRM1HRH4HRH3
Trifluoroacetic Acid SCHEMBL2965269 0.83 DPP4 (0.55) DPP4HTR3ASOS1
Trifluoroacetic Acid SCHEMBL5774558 0.83 DPP4 (0.41) DPP4CHRM1HRH4HTR3ASOS1
Trifluoroacetic Acid SCHEMBL2961375 0.83 DPP4 (0.44) DPP4CHRM1HRH4HTR3A
Trifluoroacetic Acid SCHEMBL2957130 0.82 DPP4 (0.55) DPP4CHRM1
SCHEMBL13200895 0.82 ALDH1A1 (0.45) DPP4CHRM1HTR3A

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 19/4885HRH4 112/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885HRH4 237/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885HRH4 237/4885

“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.