Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL631061

Nc1nc2c(ncn2COCCOC(=O)C2(N)CC2)c(=O)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.59
HBB P68871 2/20 0.59
BLM P54132 2/20 0.59
TSHR P16473 2/20 0.59
USP2 O75604 1/20 0.59
EDNRA P25101 1/20 0.59
HTR2A P28223 1/20 0.59
RECQL P46063 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPK1 P28482 1/20 0.58
HPRT1 P00492 3/20 0.55
POLG P54098 1/20 0.53
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
VCP P55072 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL630850 0.94 PNP (0.67) PNPHBBBLMTSHRUSP2
SCHEMBL29370760 0.79 PNP (0.87) PNPHBBBLMTSHRUSP2
SCHEMBL7814355 0.79 MEN1 (0.76) PNPHBBBLMTSHRUSP2
SCHEMBL11244147 0.78 MEN1 (0.71) PNPHBBBLMTSHRUSP2
SCHEMBL14501172 0.78 PNP (0.73) PNPHBBBLMTSHRUSP2
SCHEMBL14501075 0.78 PNP (0.73) PNPHBBBLMTSHRUSP2
SCHEMBL631990 0.78 MEN1 (0.58) PNPHBBBLMTSHRUSP2
SCHEMBL8842958 0.77 PNP (0.69) PNPHBBBLMTSHRUSP2
SCHEMBL1685246 0.77 MEN1 (0.44) PNPHBBBLMTSHRUSP2
SCHEMBL12088904 0.77 PNP (0.71) PNPHBBBLMTSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891071-B1 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR LILLY CO ELI (US) 2012-02-22 EP claimed
US-7846937-B2 Cyclopropanecarboxylate esters of acyclovir ELI LILLY AND COMPANY (US) 2010-12-07 US claimed
US-20090270428-A1 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR ELI LILLY AND COMPANY 2009-10-29 US claimed
EP-1891071-A2 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR ELI LILLY AND COMPANY (US) 2008-02-27 EP claimed
WO-2006127217-A2 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR ELI LILLY AND COMPANY (US) 2006-11-30 WO claimed
US-8853222-B2 Treatment of herpes virus related diseases EXLEY RAY W (US) 2014-10-07 US disclosed
EP-1891071-B1 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR LILLY CO ELI (US) 2012-02-22 EP disclosed
US-20110112117-A1 TREATMENT OF HERPES VIRUS RELATED DISEASES EXLEY RAY W 2011-05-12 US disclosed
EP-2257294-A2 TREATMENT OF HERPES VIRUS RELATED DISEASES Exley, Ray W. (US) 2010-12-08 EP disclosed
US-7846937-B2 Cyclopropanecarboxylate esters of acyclovir ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
US-20090270428-A1 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR ELI LILLY AND COMPANY 2009-10-29 US disclosed
WO-2009111739-A2 TREATMENT OF HERPES VIRUS RELATED DISEASES EXLEY RAY W (US) 2009-09-11 WO disclosed
EP-1891071-A2 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR ELI LILLY AND COMPANY (US) 2008-02-27 EP disclosed
WO-2006127217-A2 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR ELI LILLY AND COMPANY (US) 2006-11-30 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 (2 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-20110112117-A1 TREATMENT OF HERPES VIRUS RELATED DISEASES TPMT, METAP2, DNPEP PNP 82/4885HBB 4014/4885BLM 4459/4885
US-20090270428-A1 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR TYMP, PAICS, IMPDH1 PNP 7/4885HBB 2483/4885BLM 2712/4885

“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.