SCHEMBL1780188

SCHEMBL1780188

Cc1ccc(S(=O)(=O)n2c(-c3c[nH]c4ccc(O)cc34)cc3cccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
COMT P21964 5/20 0.39
ENPP3 O14638 1/20 0.38
HTR7 P34969 2/20 0.37
HTR6 P50406 1/20 0.37
HTR1A P08908 1/20 0.36
MITF O75030 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
AGTR1 P30556 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
SCHEMBL27687970 0.88 L3MBTL1 (0.48) L3MBTL1PTGDR2ALDH1A1HTTTDP1
SCHEMBL1777936 0.87 MAPT (0.48) L3MBTL1PTGDR2HTTTDP1LMNA
SCHEMBL1777212 0.87 PTGDR2 (0.42) L3MBTL1PTGDR2ALDH1A1HTTTDP1
SCHEMBL1778523 0.86 L3MBTL1 (0.43) L3MBTL1PTGDR2ALDH1A1HTTTDP1
SCHEMBL1748920 0.85 L3MBTL1 (0.41) L3MBTL1PTGDR2ALDH1A1HTTTDP1
SCHEMBL1748508 0.84 L3MBTL1 (0.44) L3MBTL1PTGDR2ALDH1A1HTTTDP1
SCHEMBL1780028 0.83 PTGDR2 (0.43) L3MBTL1PTGDR2ALDH1A1HTTTDP1
SCHEMBL1777336 0.82 L3MBTL1 (0.46) L3MBTL1PTGDR2ALDH1A1HTTTDP1
SCHEMBL3108961 0.82 L3MBTL1 (0.38) L3MBTL1PTGDR2CCNE1CDK2ENPP3
SCHEMBL3111240 0.81 EIF2AK2 (0.43) L3MBTL1PTGDR2HTTCCNE1CDK2

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 16 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
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 2911/4885PTGDR2 1659/4885ALDH1A1 4397/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 L3MBTL1 4557/4885PTGDR2 803/4885ALDH1A1 939/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 L3MBTL1 2911/4885PTGDR2 1357/4885ALDH1A1 4673/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 L3MBTL1 4695/4885PTGDR2 1583/4885ALDH1A1 3053/4885

“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.