SCHEMBL1778799

SCHEMBL1778799

Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(C=O)cc34)cc3cccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
PCSK9 Q8NBP7 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ENPP3 O14638 1/20 0.36
KDM4E B2RXH2 2/20 0.35
UBE2N P61088 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL6140206 0.88 L3MBTL1 (0.47) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1777336 0.87 L3MBTL1 (0.46) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1779630 0.85 HTR6 (0.44) L3MBTL1PTGDR2KDM4EGSK3B
SCHEMBL1777359 0.84 L3MBTL1 (0.43) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1778583 0.84 PTGDR2 (0.44) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1780111 0.84 L3MBTL1 (0.43) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1778089 0.84 L3MBTL1 (0.43) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1777638 0.84 HDAC1 (0.40) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1777639 0.84 HDAC1 (0.40) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL7036833 0.84 L3MBTL1 (0.43) L3MBTL1PCSK9PTGDR2CCNE1CDK2

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 L3MBTL1 2911/4885PCSK9 3932/4885PTGDR2 1659/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 L3MBTL1 4557/4885PCSK9 3196/4885PTGDR2 803/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 L3MBTL1 2911/4885PCSK9 4041/4885PTGDR2 1357/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 L3MBTL1 4695/4885PCSK9 2303/4885PTGDR2 1583/4885

“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.