SCHEMBL1103791

SCHEMBL1103791

O=C(O)C(=O)CN1C(=O)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.48
GSK3B P49841 4/20 0.48
PTGS1 P23219 7/20 0.44
PTGS2 P35354 7/20 0.44
MGLL Q99685 10/20 0.42
FAAH O00519 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
BLM P54132 2/20 0.42
GMNN O75496 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
HPGD P15428 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL1103799 0.79 GSK3A (0.52) GSK3AGSK3BPTGS1PTGS2MGLL
Hydrochloric Acid SCHEMBL28991159 0.78 PTGS1 (0.50) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL25701886 0.76 GSK3A (0.48) GSK3AGSK3BPTGS1PTGS2MGLL
Ethylene Glycol SCHEMBL28669577 0.74 PTGS1 (0.47) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL13323652 0.74 GSK3A (0.52) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL17933659 0.73 GSK3A (0.45) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL11955666 0.73 GSK3A (0.55) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL8010430 0.73 GSK3A (0.50) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL7165261 0.73 GSK3A (0.50) GSK3AGSK3BPTGS1PTGS2MGLL
SCHEMBL28353956 0.73 GSK3A (0.50) GSK3AGSK3BPTGS1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153581-B2 Process for producing an injectable medicament preparation KTB TUMORFORSCHUNGS GMBH (DE) 2012-04-10 US disclosed
US-20100215574-A1 PROCESS FOR PRODUCING AN INJECTABLE MEDICAMENT PREPARATION Vergell Medical S.A. (CH) 2010-08-26 US disclosed
US-7445764-B1 Carrier-drug conjugate KTB TUMORFORSCHUNGSGESELLSSCHAFT MBH (DE) 2008-11-04 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 (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-20100215574-A1 PROCESS FOR PRODUCING AN INJECTABLE MEDICAMENT PREPARATION MMP1, MMP2, DNPEP GSK3A 4830/4885GSK3B 4846/4885PTGS1 959/4885

“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.