Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2952254

COc1cccc(C(=O)Cn2ncc3nc(N4CCNCC4)n(Cc4ccccc4)c3c2=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.53
RXFP1 Q9HBX9 1/20 0.47
USP2 O75604 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
HIF1A Q16665 4/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C9 P11712 4/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44
HTR3A P46098 1/20 0.44
CHRM1 P11229 1/20 0.42
SOS1 Q07889 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL13200892 0.95 DPP4 (0.57) DPP4RXFP1USP2ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL2952470 0.90 DPP4 (0.52) DPP4HIF1AHTR3ACHRM1SOS1
Trifluoroacetic Acid SCHEMBL2964025 0.89 DPP4 (0.56) DPP4MAPK1CHRM1
SCHEMBL13217575 0.87 MAPK1 (0.50) DPP4RXFP1USP2ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL2965733 0.85 HTR3A (0.51) DPP4HTR3ACHRM1SOS1
SCHEMBL13200861 0.85 DPP4 (0.56) DPP4HIF1AHTR3ACHRM1SOS1
SCHEMBL13200749 0.83 DPP4 (0.59) DPP4MAPK1CHRM1
Trifluoroacetic Acid SCHEMBL2958554 0.82 DPP4 (0.49) DPP4USP2ALDH1A1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL2959529 0.81 HTR3A (0.48) DPP4HTR3ACHRM1SOS1
Trifluoroacetic Acid SCHEMBL2963693 0.80 DPP4 (0.50) DPP4HTR3ACHRM1SOS1

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 4422/4885RXFP1 1119/4885USP2 1695/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885RXFP1 1112/4885USP2 2053/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885RXFP1 1112/4885USP2 2053/4885

“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.