SCHEMBL1777988

SCHEMBL1777988

Cc1ccc(S(=O)(=O)n2c(I)cc3c(C#N)ccnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.42
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH3A1 P30838 2/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ELANE P08246 1/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL17105339 0.88 PTGDR2 (0.40) PTGDR2MAPTALDH1A1LMNAKMT2A
SCHEMBL1749156 0.84 PTGDR2 (0.46) HSD11B1PTGDR2MAPTL3MBTL1ALDH1A1
SCHEMBL28694297 0.81 PTGDR2 (0.46) PTGDR2L3MBTL1ALDH1A1TDP1MEN1
SCHEMBL30668854 0.81 PTGDR2 (0.44) PTGDR2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL1749021 0.81 PTGDR2 (0.44) HSD11B1PTGDR2L3MBTL1ALDH1A1MEN1
SCHEMBL13014031 0.81 PTGDR2 (0.44) PTGDR2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL1354451 0.81 PTGDR2 (0.44) PTGDR2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL1777233 0.80 PTGDR2 (0.42) PTGDR2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL1778080 0.79 PTGDR2 (0.49) PTGDR2L3MBTL1LMNAALDH3A1POLB
SCHEMBL2994721 0.78 PTGDR2 (0.39) HSD11B1PTGDR2MAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP disclosed
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
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 US 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
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 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
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 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 (4 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 HSD11B1 1830/4885PTGDR2 1659/4885MAPT 4861/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 HSD11B1 973/4885PTGDR2 803/4885MAPT 3999/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 HSD11B1 2360/4885PTGDR2 1357/4885MAPT 4875/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 HSD11B1 1439/4885PTGDR2 1583/4885MAPT 911/4885

“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.