SCHEMBL1780086

SCHEMBL1780086

Cc1ccc(S(=O)(=O)n2c(I)cc3c(-c4cccnc4)ccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.46
SKP2 Q13309 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.45
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2A6 P11509 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
GBA1 P04062 1/20 0.40
LATS1 O95835 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.39
NUDT1 P36639 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
DYRK1A Q13627 2/20 0.38
DYRK1B Q9Y463 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1778795 0.89 PTGDR2 (0.46) CKS1BSKP2PTGDR2SMN1; SMN2L3MBTL1
SCHEMBL5410976 0.84 PTGS2 (0.43) CKS1BSKP2PTGDR2CYP11B1CYP11B2
SCHEMBL28694297 0.79 PTGDR2 (0.46) PTGDR2SMN1; SMN2L3MBTL1
SCHEMBL1781229 0.79 L3MBTL1 (0.56) CKS1BSKP2PTGDR2CYP11B1CYP11B2
SCHEMBL1749156 0.79 PTGDR2 (0.46) PTGDR2SMN1; SMN2LATS1L3MBTL1
SCHEMBL1749021 0.77 PTGDR2 (0.44) PTGDR2L3MBTL1
SCHEMBL1354451 0.77 PTGDR2 (0.44) CKS1BSKP2PTGDR2LATS1L3MBTL1
SCHEMBL13014031 0.77 PTGDR2 (0.44) PTGDR2SMN1; SMN2LATS1L3MBTL1
SCHEMBL30668854 0.77 PTGDR2 (0.44) CKS1BSKP2PTGDR2LATS1L3MBTL1
SCHEMBL1778080 0.77 PTGDR2 (0.49) PTGDR2L3MBTL1CYP3A4

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 CKS1B 165/4885SKP2 411/4885PTGDR2 803/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 CKS1B 444/4885SKP2 76/4885PTGDR2 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.