SCHEMBL2220618

SCHEMBL2220618

O=C(O)CNC(=O)OCI

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
CTH P32929 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
APEX1 P27695 1/20 0.32
ECE1 P42892 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
PLA2G2A P14555 1/20 0.31

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
SCHEMBL2221096 0.77 HTT (0.42) LMNAECE1KDM4EPLA2G2AACHE
SCHEMBL25208944 0.76 EGLN1 (0.42) EGLN1CTHALDH1A1MAPTLMNA
SCHEMBL1912605 0.76 EGLN1 (0.63) EGLN1ALDH1A1MAPTLMNAPTGS2
SCHEMBL15459770 0.74 ACHE (0.52) EGLN1ALDH1A1MAPTLMNAPTGS2
Hydrochloric Acid SCHEMBL27706409 0.74 EGLN1 (0.61) EGLN1ALDH1A1MAPTLMNAPTGS2
SCHEMBL2183329 0.74 GAA (0.52) ALDH1A1MAPTSMN1; SMN2KDM4EHTT
SCHEMBL15190050 0.74 EGLN1 (0.48) EGLN1CTHALDH1A1MAPTLMNA
SCHEMBL22830261 0.73 EGLN1 (0.39) EGLN1CTHALDH1A1MAPTLMNA
SCHEMBL13153845 0.73 ACHE (0.50) EGLN1ACHE
SCHEMBL16447317 0.73 EGLN1 (0.39) EGLN1ALDH1A1MAPTLMNAPTGS2

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
EP-2521711-A1 QUATERNARY AMMONIUM SALT PRODRUGS Alkermes, Inc. (US) 2012-11-14 EP disclosed
WO-2011084849-A1 DIARYLDIAZEPINE PRODRUGS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 US disclosed
EP-2039681-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME SQLE, FDFT1, PTGIS EGLN1 4033/4885CTH 365/4885ALDH1A1 572/4885

“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.