SCHEMBL860840

SCHEMBL860840

COc1ccc2c(c1)c(CCNC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c1)c(C)n2C(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.52
HTRA2 O43464 8/20 0.49
HTRA1 Q92743 8/20 0.49
FOLH1 Q04609 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL14731441 0.92 ALB (0.54) ALBHTRA2HTRA1
SCHEMBL861480 0.87 PTGS2 (0.56) HDAC3HDAC1HDAC8HDAC6
SCHEMBL860836 0.86 PTGS2 (0.58) FOLH1HDAC3HDAC1HDAC8HDAC6
SCHEMBL861064 0.83 PTGS2 (0.57) HDAC3HDAC1HDAC8HDAC6
SCHEMBL861487 0.83 PTGS2 (0.51) HDAC3HDAC1HDAC8HDAC6
SCHEMBL16181473 0.79 PTGS2 (0.53) HDAC3HDAC1HDAC8HDAC6
SCHEMBL878470 0.79 PTGS2 (0.55) HDAC3HDAC1HDAC8HDAC6
SCHEMBL860837 0.78 PTGS2 (0.50) HDAC3HDAC1HDAC8HDAC6
SCHEMBL860839 0.77 CNR2 (0.56) ALB
SCHEMBL10148093 0.77 ALB (0.49) ALBHTRA2HTRA1FOLH1

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 4 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-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
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 ALB 1282/4885HTRA2 65/4885HTRA1 687/4885

“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.