SCHEMBL1778583

SCHEMBL1778583

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SYK P43405 1/20 0.39
ENPP3 O14638 1/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
PCSK9 Q8NBP7 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ACLY P53396 1/20 0.37
PTPN11 Q06124 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL1778452 0.94 PTGDR2 (0.43) PTGDR2L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL1778089 0.93 L3MBTL1 (0.43) PTGDR2L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL1779187 0.91 L3MBTL1 (0.48) PTGDR2L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL3103172 0.90 PTGDR2 (0.42) PTGDR2L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL1777336 0.88 L3MBTL1 (0.46) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL1778006 0.88 L3MBTL1 (0.41) PTGDR2L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL1778004 0.88 L3MBTL1 (0.41) PTGDR2L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL1780127 0.88 PTGDR2 (0.43) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL6140206 0.87 L3MBTL1 (0.47) PTGDR2L3MBTL1CYP2C19ENPP3CCNE1
SCHEMBL1777244 0.85 PTGDR2 (0.39) PTGDR2CYP3A4CYP2C9CYP2C19PCSK9

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 8 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
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 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 4557/4885CYP3A4 250/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 PTGDR2 1583/4885L3MBTL1 4695/4885CYP3A4 1030/4885

“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.