SCHEMBL1776311

SCHEMBL1776311

Cc1ccc(S(=O)(=O)n2c(OS(=O)(=O)C(F)(F)F)cc3cccnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
PTGDR2 Q9Y5Y4 5/20 0.44
HSD11B1 P28845 2/20 0.40
ENPP3 O14638 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRK1 P41145 1/20 0.38
CKS1B P61024 1/20 0.38
KMT2A Q03164 1/20 0.38
SKP2 Q13309 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
SCHEMBL1776579 0.81 NOD1 (0.52) L3MBTL1ALDH1A1HTTCYP2C19SMN1; SMN2
SCHEMBL26969526 0.80 L3MBTL1 (0.59) L3MBTL1PTGDR2HSD11B1ENPP3ALDH1A1
SCHEMBL1713506 0.79 L3MBTL1 (0.62) L3MBTL1PTGDR2HSD11B1ENPP3ALDH1A1
SCHEMBL1777841 0.78 L3MBTL1 (0.41) L3MBTL1PTGDR2HSD11B1ENPP3LATS1
SCHEMBL16525796 0.76 L3MBTL1 (0.58) L3MBTL1PTGDR2HSD11B1ENPP3ALDH1A1
SCHEMBL1749134 0.76 L3MBTL1 (0.58) L3MBTL1PTGDR2HSD11B1ENPP3ALDH1A1
SCHEMBL13575362 0.76 L3MBTL1 (0.58) L3MBTL1PTGDR2HSD11B1ENPP3ALDH1A1
SCHEMBL28253787 0.76 L3MBTL1 (0.58) L3MBTL1PTGDR2HSD11B1ENPP3ALDH1A1
SCHEMBL19921325 0.75 L3MBTL1 (0.54) L3MBTL1PTGDR2ENPP3ALDH1A1LMNA
SCHEMBL1778896 0.74 L3MBTL1 (0.55) L3MBTL1PTGDR2HSD11B1ENPP3ALDH1A1

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 L3MBTL1 4557/4885PTGDR2 803/4885HSD11B1 973/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 L3MBTL1 4695/4885PTGDR2 1583/4885HSD11B1 1439/4885

“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.