SCHEMBL10147607

SCHEMBL10147607

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
PTGS2 P35354 9/20 0.48
PTGS1 P23219 2/20 0.45
HRH4 Q9H3N8 1/20 0.45
PLA2G2A P14555 2/20 0.45

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
SCHEMBL878348 0.94 PLA2G2A (0.46) CA12CA4CA9PLA2G2A
SCHEMBL837905 0.86 CA12 (0.68) CA12CA4CA9PTGS2PTGS1
SCHEMBL13290412 0.86 CA12 (0.55) CA12CA4CA9PTGS2PTGS1
SCHEMBL861472 0.83 PTGS2 (0.67) CA12CA4CA9PTGS2PTGS1
SCHEMBL10147696 0.82 NPC1 (0.49) CA12CA4CA9
SCHEMBL13290297 0.80 CA12 (0.59) CA12CA4CA9PTGS2PTGS1
SCHEMBL14731417 0.78 PTGS2 (0.64) CA12CA4CA9PTGS2PTGS1
SCHEMBL14351090 0.78 CA12 (0.57) CA12CA4CA9PTGS2PTGS1
SCHEMBL878320 0.77 CA12 (0.58) CA12CA4CA9PTGS2PTGS1
SCHEMBL14728160 0.74 PTGS2 (0.55) CA12CA4CA9PTGS2PTGS1

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 CA12 77/4885CA4 1019/4885CA9 522/4885

“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.