SCHEMBL1777486

SCHEMBL1777486

Cc1ccc(S(=O)(=O)n2c(-c3ccc(C(C)(C)C)cc3)cc3c(Cl)ccnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CCR9 P51686 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 3/20 0.37
CDC7 O00311 1/20 0.37
PIM1 P11309 1/20 0.37
CDK9 P50750 1/20 0.37
USP2 O75604 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL30726581 0.81 PTGDR2 (0.39) HSD11B1ALDH1A1LMNAKDM4EHTT
SCHEMBL16546222 0.81 ACLY (0.43) ALDH1A1LMNAKDM4EKMT2AHTT
SCHEMBL16535035 0.81 PTGDR2 (0.37) HSD11B1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL21490844 0.80 PTGDR2 (0.46) HSD11B1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL29772856 0.80 KDM4E (0.39) HSD11B1ALDH1A1LMNAKDM4EHTT
SCHEMBL16546223 0.80 PTGDR2 (0.40) HSD11B1ALDH1A1LMNAKDM4EHTT
SCHEMBL16546208 0.79 HTR6 (0.43) ALDH1A1KDM4EHTTNPSR1CDC7
SCHEMBL17289997 0.79 PTGDR2 (0.39) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL15586784 0.79 PTGDR2 (0.37) HSD11B1ALDH1A1LMNAKDM4EHTT
SCHEMBL16546220 0.79 PTGS2 (0.46) ALDH1A1PTGDR2

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 HSD11B1 1830/4885ALDH1A1 4397/4885LMNA 3208/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 HSD11B1 973/4885ALDH1A1 939/4885LMNA 3913/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 HSD11B1 2360/4885ALDH1A1 4673/4885LMNA 3713/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 HSD11B1 1439/4885ALDH1A1 3053/4885LMNA 3686/4885

“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.