SCHEMBL1243901

SCHEMBL1243901

C=CP(=O)(Oc1cccc(C(=O)OCC)c1)Oc1cccc(C(=O)OCC)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
POLB P06746 3/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 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
SCHEMBL1244774 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL12447398 0.82 F10 (0.50) CYP4F2CYP4A11SMN1; SMN2MAPTRAB9A
SCHEMBL1244646 0.81 NPC1 (0.48) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL272958 0.80 SMN1; SMN2 (0.49) CYP4F2CYP4A11SMN1; SMN2MAPTRAB9A
SCHEMBL1052602 0.79 CYP4F2 (0.49) CYP4F2CYP4A11SMN1; SMN2MAPTRAB9A
SCHEMBL4872864 0.78 ADRB2 (0.62) CYP4F2CYP4A11SMN1; SMN2MAPTRAB9A
SCHEMBL16023430 0.76 NPC1 (0.54) CYP4F2CYP4A11SMN1; SMN2RAB9ANPC1
SCHEMBL1989713 0.76 KMT2A (0.62) CYP4F2CYP4A11SMN1; SMN2MAPTRAB9A
SCHEMBL1248647 0.76 SMN1; SMN2 (0.65) CYP4F2CYP4A11SMN1; SMN2MAPTRAB9A
SCHEMBL110276 0.75 CYP4F2 (0.65) CYP4F2CYP4A11SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879826-B2 N-methyl-D-aspartate (NMDA) receptor antagonists, such as Diethyl 3,3'-[({2-[8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl]ethyl}phosphoryl)bis(oxy)]dibenzoate, used for treating pain in a mammals; analgesics WYETH LLC (US) 2011-02-01 US disclosed
EP-1797104-B1 DERIVATIVES OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ALKYL]PHOSPHONIC ACID AND METHOD OF MAKING THEM WYETH CORP (US) 2009-11-25 EP disclosed
US-20070244100-A1 Derivatives of [2-(8,9-Dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl]phosphonic Acid and Methods of Making Them WYETH (US) 2007-10-18 US disclosed
US-7268123-B2 Derivatives of [2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl]phosphonic acid and methods of making them WYETH (US) 2007-09-11 US disclosed
US-20060079679-A1 Derivatives of [2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl]phosphonic acid and methods of making them WYETH (US) 2006-04-13 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 (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-20060079679-A1 Derivatives of [2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl]phosphonic acid and methods of making them HAO1, OXER1, HRH4 CYP4F2 417/4885CYP4A11 27/4885SMN1; SMN2 2413/4885
US-20070244100-A1 Derivatives of [2-(8,9-Dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl]phosphonic Acid and Methods of Making Them HAO1, OXER1, HRH4 CYP4F2 417/4885CYP4A11 27/4885SMN1; SMN2 2413/4885

“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.