SCHEMBL10147685

SCHEMBL10147685

COc1ccc2c(c1)c(CC(=O)NCCCNS(=O)(=O)c1ccc(/N=N/c3ccc(N(C)C)cc3)cc1)c(C)n2COc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA4 P22748 4/20 0.52
CA9 Q16790 4/20 0.52
PTGS2 P35354 11/20 0.49
PTGS1 P23219 3/20 0.47
HRH4 Q9H3N8 1/20 0.47
APP P05067 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
PLA2G2A P14555 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC2 Q92769 1/20 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
SCHEMBL10147688 0.96 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL861693 0.88 CA12 (0.64) CA12CA1CA2CA4CA9
SCHEMBL13290386 0.85 PTGS2 (0.44) CA12CA1CA2CA4CA9
SCHEMBL839246 0.84 PTGES (0.63) CA12CA1CA2CA4CA9
SCHEMBL861692 0.84 PTGES (0.63) CA12CA1CA2CA4CA9
SCHEMBL13290328 0.80 PTGS2 (0.45) CA12CA1CA2CA4CA9
SCHEMBL14351094 0.80 CA12 (0.54) CA12CA1CA2CA4CA9
SCHEMBL14728152 0.79 PTGS2 (0.53) CA12CA1CA2CA4CA9
SCHEMBL14351089 0.76 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL13286924 0.69 PTGS2 (0.65) CA12CA1CA2CA4CA9

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 77/4885CA1 305/4885CA2 289/4885

“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.