SCHEMBL15730486

SCHEMBL15730486

COc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.48
F2RL3 Q96RI0 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
BTK Q06187 1/20 0.44
PTGS1 P23219 3/20 0.44
KCNH2 Q12809 1/20 0.43
SCN9A Q15858 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
SCHEMBL2329730 0.87 PTGES2 (0.45) PTGS2PTGES2BTKSCN9A
SCHEMBL23093438 0.80 PTGS2 (0.48) PTGS2HDAC6PTGS1
SCHEMBL29802445 0.80 PTGS2 (0.48) PTGS2HDAC6PTGS1
SCHEMBL2329728 0.79 PTGES2 (0.49) PTGES2BTKKCNH2
SCHEMBL19243065 0.78 THRB (0.54) PTGS2HDAC6
SCHEMBL6997658 0.78 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL18255986 0.78 NPC1 (0.54) BTK
SCHEMBL12498066 0.78 BTK (0.46) F2RL3PTGES2BTK
SCHEMBL13996079 0.78 RAB9A (0.56) PTGES2BTKKCNH2
SCHEMBL1360819 0.77 RAB9A (0.60) PTGES2HDAC6BTKKCNH2

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-9765039-B2 Biaryl derivatives as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-09-19 US disclosed
US-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2014-05-22 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-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRDT, BRD3, BRD4 PTGS2 3702/4885F2RL3 3174/4885PTGES2 3426/4885

“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.