SCHEMBL1780127

SCHEMBL1780127

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ENPP3 O14638 1/20 0.40
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
GRM4 Q14833 2/20 0.37
PCSK9 Q8NBP7 1/20 0.37
NOD1 Q9Y239 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 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
SCHEMBL3102666 0.89 L3MBTL1 (0.38) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL1778583 0.88 PTGDR2 (0.44) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL1778089 0.88 L3MBTL1 (0.43) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL1777336 0.86 L3MBTL1 (0.46) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL6140206 0.85 L3MBTL1 (0.47) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL3103172 0.85 PTGDR2 (0.42) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL1777212 0.83 PTGDR2 (0.42) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL1778452 0.83 PTGDR2 (0.43) PTGDR2L3MBTL1ENPP3CCNE1CDK2
SCHEMBL1779630 0.83 HTR6 (0.44) PTGDR2L3MBTL1
SCHEMBL1778799 0.83 L3MBTL1 (0.44) PTGDR2L3MBTL1ENPP3CCNE1CDK2

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 4557/4885ENPP3 671/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 PTGDR2 1583/4885L3MBTL1 4695/4885ENPP3 651/4885

“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.