SCHEMBL371420

SCHEMBL371420

NCCCNCCP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
LMNA P02545 2/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
DRD3 P35462 1/20 0.59
CASP2 P42575 2/20 0.55
CA12 O43570 2/20 0.55
F13A1 P00488 2/20 0.55
CA2 P00918 2/20 0.55
CYP1A2 P05177 2/20 0.55
ALOX15 P16050 2/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
CA5A P35218 2/20 0.55
THPO P40225 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA5B Q9Y2D0 2/20 0.55

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
SCHEMBL10927023 0.91 S1PR2 (0.57) BLMPMP22LMNACYP3A4NFKB1
SCHEMBL1479560 0.90 LMNA (0.59) BLMPMP22LMNACYP3A4NFKB1
SCHEMBL3447091 0.89 BLM (0.60) BLMPMP22LMNACYP3A4NFKB1
Water SCHEMBL10792460 0.89 S1PR2 (0.55) BLMPMP22LMNACYP3A4NFKB1
SCHEMBL28846998 0.86 LMNA (0.54) BLMPMP22LMNACYP3A4NFKB1
Norspermidine SCHEMBL13386646 0.86 BLM (0.59) BLMPMP22LMNACYP3A4NFKB1
Norspermidine SCHEMBL6824685 0.86 BLM (0.59) BLMPMP22LMNACYP3A4NFKB1
Spermine SCHEMBL867751 0.85 CA12 (0.68) BLMPMP22LMNACYP3A4NFKB1
SCHEMBL243323 0.85 LMNA (0.59) BLMPMP22LMNACYP3A4NFKB1
Spermine SCHEMBL2058654 0.85 CA12 (0.68) BLMPMP22LMNACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120116074-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF CULLEN THOMAS GERARD (US) 2012-05-10 US claimed
EP-2408790-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF Wyeth LLC (US) 2012-01-25 EP claimed
WO-2010108063-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF WYETH LLC (US) 2010-09-23 WO claimed
US-20120116074-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF CULLEN THOMAS GERARD (US) 2012-05-10 US disclosed
EP-2408790-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF Wyeth LLC (US) 2012-01-25 EP disclosed
WO-2010108063-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF WYETH LLC (US) 2010-09-23 WO disclosed
CN-1871246-A Methods for the preparation of {2-[(8,9)-dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl[ethyl} phosphonic acid and esters thereof WYETH CORP (US) 2006-11-29 CN 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 (1 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-20120116074-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF DERA, ENO1, PPIP5K2 BLM 4337/4885PMP22 508/4885LMNA 1428/4885

“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.