SCHEMBL1885239

SCHEMBL1885239

CC(=O)c1ccc(CN2C(=O)C=CC2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.71
PTGS2 P35354 2/20 0.71
MGLL Q99685 4/20 0.67
FAAH O00519 2/20 0.67
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 3/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
MAPT P10636 1/20 0.42
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 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
SCHEMBL3034487 0.83 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHGSK3A
SCHEMBL146412 0.82 MGLL (1.00) PTGS1PTGS2MGLLFAAHGSK3A
SCHEMBL12905303 0.77 HDAC1 (0.68) KMT2ALMNAADRA1DADRA1AADRA1B
SCHEMBL4800190 0.76 MGLL (0.78) PTGS1PTGS2MGLLFAAHGSK3A
SCHEMBL9610843 0.76 MGLL (1.00) PTGS1PTGS2MGLLFAAHGSK3A
SCHEMBL4804503 0.76 MGLL (0.78) PTGS1PTGS2MGLLFAAHGSK3A
SCHEMBL8950019 0.76 MGLL (0.86) PTGS1PTGS2MGLLFAAHGSK3A
SCHEMBL21215698 0.76 MGLL (0.86) PTGS1PTGS2MGLLFAAHGSK3A
SCHEMBL4550732 0.75 HDAC6 (0.54) PTGS1PTGS2KMT2ALMNAHRH3
SCHEMBL7218376 0.74 MGLL (0.82) PTGS1PTGS2MGLLFAAHGSK3A

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-20110104051-A1 Chemically Modified Viral Capsids as Targeted Delivery Vectors for Diagnostic and Therapeutic Agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-05 US disclosed
WO-2007126764-A2 CHEMICALLY MODIFIED VIRAL CAPSIDS AS TARGETED DELIVERY VECTORS FOR DIAGNOSTIC AND THERAPEUTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-08 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-20110104051-A1 Chemically Modified Viral Capsids as Targeted Delivery Vectors for Diagnostic and Therapeutic Agents HAVCR2, CALR, EEA1 PTGS1 4461/4885PTGS2 4375/4885MGLL 3879/4885

“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.