SCHEMBL1778719

SCHEMBL1778719

Cc1ccc(S(=O)(=O)n2c(I)c(C)c3cccnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.57
L3MBTL1 Q9Y468 2/20 0.51
ALDH3A1 P30838 2/20 0.47
NOD1 Q9Y239 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
LATS1 O95835 1/20 0.44
COMT P21964 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
HSD11B1 P28845 2/20 0.42
CXCL8 P10145 1/20 0.42
GAA P10253 1/20 0.42
NOD2 Q9HC29 1/20 0.42
CCKAR P32238 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL20005127 0.90 PTGDR2 (0.57) PTGDR2L3MBTL1LATS1CCKAR
SCHEMBL30539171 0.87 PTGDR2 (0.55) PTGDR2L3MBTL1ALDH3A1NOD1POLB
SCHEMBL20576441 0.78 PTGDR2 (0.63) PTGDR2L3MBTL1LATS1COMTHSD11B1
SCHEMBL29604855 0.78 PTGDR2 (0.63) PTGDR2L3MBTL1LATS1COMTHSD11B1
SCHEMBL13302164 0.77 L3MBTL1 (0.59) PTGDR2L3MBTL1ALDH3A1NOD1POLB
SCHEMBL1773016 0.76 PTGDR2 (0.67) PTGDR2LATS1CCKAR
SCHEMBL1749134 0.76 L3MBTL1 (0.58) PTGDR2L3MBTL1ALDH3A1NOD1POLB
SCHEMBL5136369 0.74 PTGDR2 (0.51) PTGDR2LATS1CCKAR
SCHEMBL4583577 0.74 PTGDR2 (0.64) PTGDR2LATS1CCKAR
SCHEMBL28510437 0.74 PTGDR2 (0.60) PTGDR2L3MBTL1COMTCCKAR

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 4557/4885ALDH3A1 1484/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 PTGDR2 1583/4885L3MBTL1 4695/4885ALDH3A1 3490/4885

“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.