SCHEMBL5716683

SCHEMBL5716683

COc1ccc2c(cc(-c3ccc(C=O)cc3)n2S(=O)(=O)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CXCL8 P10145 2/20 0.38
NOD1 Q9Y239 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HTR6 P50406 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37

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
SCHEMBL5716691 0.88 ALDH3A1 (0.41) CA12CA2CA9CXCL8NOD1
SCHEMBL6117240 0.75 CA12 (0.55) CA12CA2CA9HDAC3HDAC4
SCHEMBL29952005 0.75 CXCL8 (0.41) CXCL8NOD1HTR6POLBL3MBTL1
SCHEMBL5716679 0.73 HDAC3 (0.51) CXCL8NOD1HTR6POLBL3MBTL1
SCHEMBL3530924 0.72 PPARG (0.58) ALDH1A1
SCHEMBL31617371 0.70 ALDH3A1 (0.50) CXCL8NOD1HTR6POLBL3MBTL1
SCHEMBL5716686 0.70 MAPT (0.45) CXCL8NOD1POLBHDAC3HDAC4
SCHEMBL3529707 0.70 PPARG (0.62)
SCHEMBL17927646 0.70 NOD1 (0.46) CXCL8NOD1HTR6POLBHDAC3
SCHEMBL5716741 0.69 TTR (0.37) PDE4APDE4BPDE4CPDE4DHDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276720-B1 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (CH) 2006-12-20 EP disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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 (2 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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT CA12 2399/4885CA2 2005/4885CA9 2647/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT CA12 2399/4885CA2 2005/4885CA9 2647/4885

“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.