SCHEMBL4198614

SCHEMBL4198614

O=S(=O)(O)CCNC(O)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
CYP2D6 P10635 1/20 0.32
APP P05067 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
SCHEMBL13359408 0.87 APP (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL35763 0.79 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1078938 0.79 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL4883135 0.78 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL23242898 0.77 PTGS1 (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL29538945 0.77 CYP2D6 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL4736677 0.76 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
Water SCHEMBL8593341 0.76 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL439388 0.74 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8553870 0.72 CYP2D6 (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312539-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2009-12-17 US disclosed
WO-2008062279-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-05-29 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 (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-20090312539-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC MGAM, TREH, ABCB11 PTGS1 4210/4885PDE4A 3177/4885LMNA 554/4885

“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.