SCHEMBL1780028

SCHEMBL1780028

Cc1ccc(S(=O)(=O)n2c(-c3c[nH]c4cc(C(=O)O)ccc34)cc3cccnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
PTPN1 P18031 1/20 0.39
ENPP3 O14638 1/20 0.39
TDO2 P48775 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
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
DYRK1A Q13627 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCKAR P32238 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
SCHEMBL3111240 0.91 EIF2AK2 (0.43) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL27687970 0.86 L3MBTL1 (0.48) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL1780188 0.83 L3MBTL1 (0.45) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL1777212 0.82 PTGDR2 (0.42) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL1778452 0.82 PTGDR2 (0.43) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL1748508 0.82 L3MBTL1 (0.44) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL1779187 0.81 L3MBTL1 (0.48) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL1778583 0.81 PTGDR2 (0.44) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL1748920 0.81 L3MBTL1 (0.41) PTGDR2L3MBTL1CCNE1CDK2ENPP3
SCHEMBL1777936 0.79 MAPT (0.48) PTGDR2L3MBTL1CCNE1CDK2TDP1

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 4557/4885CCNE1 243/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 PTGDR2 1583/4885L3MBTL1 4695/4885CCNE1 936/4885

“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.