Sugi Predict

Sugi Predict / Compounds / SCHEMBL4069630

SCHEMBL4069630

SCHEMBL4069630

O=[N+]([O-])c1cccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.56
▸ MMP2 P08253 2/20 0.56
▸ CA1 P00915 1/20 0.56
▸ MMP1 P03956 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP19A1 P11511 1/20 0.50
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ CA5A P35218 1/20 0.49

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
SCHEMBL31143759 0.85 ALDH1A1 (0.66) CA2MMP2CA1MMP1MMP9
SCHEMBL31143800 0.84 HDAC3 (0.58) CA2MMP2CA1MMP1MMP9
SCHEMBL15892101 0.83 L3MBTL1 (0.54) CA2MMP2CA1MMP1MMP9
SCHEMBL30929181 0.79 ALDH1A1 (0.56) CA2MMP2CA1MMP1MMP9
SCHEMBL4066303 0.78 ALDH1A1 (0.56) CA2CA1ALDH1A1LMNAGAA
SCHEMBL12070092 0.77 HSD11B1 (0.58) CA2MMP2CA1MMP1MMP9
SCHEMBL812701 0.77 LMNA (0.71) CA2MMP2CA1MMP1MMP9
SCHEMBL9095106 0.75 LMNA (0.60) L3MBTL1ALDH1A1KMT2ALMNAMEN1
SCHEMBL13590904 0.75 CA2 (0.75) CA2MMP2CA1MMP1MMP9
SCHEMBL5185235 0.74 PRMT5 (0.57) CA2MMP2CA1MMP1MMP9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 — — US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 — — US disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 — — 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A CA2 1676/4885MMP2 3023/4885CA1 1565/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 CA2 3337/4885MMP2 4062/4885CA1 4390/4885

“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.