SCHEMBL631990

SCHEMBL631990

CC(C)(C)OC(=O)NC1(C(=O)OCCOCn2cnc3c(=O)[nH]c(N)nc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HBB P68871 2/20 0.57
MAPK1 P28482 1/20 0.57
PNP P00491 7/20 0.56
TSHR P16473 2/20 0.56
BLM P54132 2/20 0.56
USP2 O75604 1/20 0.56
EDNRA P25101 1/20 0.56
HTR2A P28223 1/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HPRT1 P00492 3/20 0.52
POLG P54098 1/20 0.50
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
VCP P55072 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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 0.81 PNP (0.67) MEN1KMT2AHBBMAPK1PNP
SCHEMBL6340456 0.81 MEN1 (0.69) MEN1KMT2AHBBMAPK1PNP
SCHEMBL14501173 0.80 MEN1 (0.65) MEN1KMT2AHBBMAPK1PNP
SCHEMBL11244147 0.79 MEN1 (0.71) MEN1KMT2AHBBMAPK1PNP
SCHEMBL7814355 0.78 MEN1 (0.76) MEN1KMT2AHBBMAPK1PNP
Trifluoroacetic Acid SCHEMBL631061 0.78 PNP (0.59) MEN1KMT2AHBBMAPK1PNP
SCHEMBL29370760 0.76 PNP (0.87) MEN1KMT2AHBBMAPK1PNP
SCHEMBL8445568 0.76 MEN1 (0.73) MEN1KMT2AHBBMAPK1PNP
SCHEMBL14501075 0.75 PNP (0.73) MEN1KMT2AHBBMAPK1PNP
SCHEMBL14501172 0.75 PNP (0.73) MEN1KMT2AHBBMAPK1PNP

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
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-7846937-B2 Cyclopropanecarboxylate esters of acyclovir ELI LILLY AND COMPANY (US) 2010-12-07 US 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
US-20090270428-A1 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR ELI LILLY AND COMPANY 2009-10-29 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
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 MEN1 1674/4885KMT2A 1208/4885HBB 4014/4885
US-20090270428-A1 CYCLOPROPANECARBOXYLATE ESTERS OF ACYCLOVIR TYMP, PAICS, IMPDH1 MEN1 1851/4885KMT2A 2307/4885HBB 2483/4885

“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.