SCHEMBL1776579

SCHEMBL1776579

Cc1ccc(S(=O)(=O)n2c(OS(=O)(=O)C(F)(F)F)cc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.52
NOD2 Q9HC29 5/20 0.52
ALOX5 P09917 1/20 0.47
ALDH3A1 P30838 3/20 0.46
GAA P10253 2/20 0.44
CXCL8 P10145 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL7153057 0.85 NOD1 (0.59) NOD1NOD2ALOX5ALDH3A1GAA
SCHEMBL18918630 0.82 NOD1 (0.58) NOD1NOD2ALOX5ALDH3A1GAA
SCHEMBL1776311 0.81 L3MBTL1 (0.49) ALDH3A1ALDH1A1SMN1; SMN2HTTAGTR1
SCHEMBL28408604 0.78 NOD1 (0.54) NOD1NOD2ALOX5ALDH3A1GAA
SCHEMBL28205246 0.77 NOD1 (0.59) NOD1NOD2ALOX5ALDH3A1GAA
SCHEMBL28414053 0.77 NOD1 (0.61) NOD1NOD2ALOX5ALDH3A1GAA
SCHEMBL30684767 0.75 NOD1 (0.49) NOD1NOD2ALOX5ALDH3A1GAA
SCHEMBL28246138 0.74 HTR6 (0.52) NOD1NOD2CXCL8ALDH1A1CA12
SCHEMBL28417120 0.74 NOD1 (0.55) NOD1NOD2ALOX5ALDH3A1GAA
SCHEMBL28017014 0.74 CA12 (0.69) NOD1NOD2ALOX5ALDH3A1GAA

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 5 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

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 NOD1 3509/4885NOD2 4300/4885ALOX5 1822/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 NOD1 705/4885NOD2 504/4885ALOX5 2378/4885

“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.