SCHEMBL1777233

SCHEMBL1777233

COc1ccnc2c1cc(I)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
ALDH3A1 P30838 1/20 0.38
NOD1 Q9Y239 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2086931 0.89 SLC40A1 (0.46) PTGDR2NOD1MEN1MAPTKMT2A
SCHEMBL1749156 0.85 PTGDR2 (0.46) PTGDR2L3MBTL1HTTPOLBALDH3A1
SCHEMBL30644827 0.84 PTGDR2 (0.45) PTGDR2L3MBTL1HTTPOLBALDH3A1
SCHEMBL28931473 0.84 PTGDR2 (0.45) PTGDR2L3MBTL1HTTPOLBALDH3A1
SCHEMBL16040534 0.83 CDK9 (0.45)
SCHEMBL13014031 0.82 PTGDR2 (0.44) PTGDR2L3MBTL1HTTPOLBALDH3A1
SCHEMBL30668854 0.82 PTGDR2 (0.44) PTGDR2L3MBTL1HTTPOLBALDH3A1
SCHEMBL1354451 0.82 PTGDR2 (0.44) PTGDR2L3MBTL1HTTPOLBALDH3A1
SCHEMBL28694297 0.82 PTGDR2 (0.46) PTGDR2L3MBTL1HTTPOLBALDH3A1
SCHEMBL1749021 0.82 PTGDR2 (0.44) PTGDR2L3MBTL1HTTPOLBALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 PTGDR2 803/4885L3MBTL1 4557/4885HTT 4689/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 PTGDR2 1583/4885L3MBTL1 4695/4885HTT 4548/4885

“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.