SCHEMBL1778795

SCHEMBL1778795

Cc1ccc(S(=O)(=O)n2c(I)cc3c(-c4ccccc4)ccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42
ALDH3A1 P30838 2/20 0.41
NOD1 Q9Y239 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
AGTR1 P30556 2/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1780086 0.89 CKS1B (0.46) PTGDR2L3MBTL1SMN1; SMN2CKS1BSKP2
SCHEMBL13505139 0.84 PTGDR2 (0.46) PTGDR2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL1749156 0.83 PTGDR2 (0.46) PTGDR2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL3412678 0.82 IKBKB (0.53) LMNAALDH1A1SMN1; SMN2POLBHTT
SCHEMBL13014031 0.81 PTGDR2 (0.44) PTGDR2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL1749021 0.81 PTGDR2 (0.44) PTGDR2L3MBTL1LMNAALDH1A1ALDH3A1
SCHEMBL1354451 0.81 PTGDR2 (0.44) PTGDR2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL28694297 0.81 PTGDR2 (0.46) PTGDR2L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL30668854 0.81 PTGDR2 (0.44) PTGDR2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL30644827 0.80 PTGDR2 (0.45) PTGDR2L3MBTL1LMNAMAPTALDH1A1

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 PTGDR2 1659/4885L3MBTL1 2911/4885LMNA 3208/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 PTGDR2 803/4885L3MBTL1 4557/4885LMNA 3913/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 PTGDR2 1357/4885L3MBTL1 2911/4885LMNA 3713/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 PTGDR2 1583/4885L3MBTL1 4695/4885LMNA 3686/4885

“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.