SCHEMBL878348

SCHEMBL878348

COc1ccc2c(c1)c(CC(=O)NCCNC(=O)c1cc3ccccc3oc1=O)c(C)n2C(O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.46
NPC1 O15118 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
MAOB P27338 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
RAB9A P51151 2/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL10147607 0.94 CA12 (0.50) PLA2G2ACA12CA4CA9
SCHEMBL13290297 0.85 CA12 (0.59) MAPTCA12CA4CA9
SCHEMBL10147696 0.83 NPC1 (0.49) NPC1RXFP1MAPTPOLBMAOB
SCHEMBL878320 0.83 CA12 (0.58) CA12CA4CA9
SCHEMBL837905 0.80 CA12 (0.68) CA12CA4CA9
SCHEMBL13290412 0.80 CA12 (0.55) PLA2G2AMAPTCA12CA4CA9
SCHEMBL14351090 0.79 CA12 (0.57) CA12CA4CA9
SCHEMBL13290405 0.78 PTGS2 (0.52) PLA2G2A
SCHEMBL861472 0.77 PTGS2 (0.67) CA12CA4CA9
SCHEMBL13290403 0.74 PTGS2 (0.48) PLA2G2ACA12CA4CA9

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-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 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-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 PLA2G2A 37/4885NPC1 1654/4885RXFP1 2356/4885

“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.