SCHEMBL4675340

SCHEMBL4675340

O=S(=O)(O)c1ccc2c(c1)CCC(CNCC(O)c1ccccc1)O2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
DRD2 P14416 9/20 0.41
DRD4 P21917 9/20 0.41
DRD3 P35462 9/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 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
SCHEMBL4675345 1.00 CA2 (0.42) CA2DRD2DRD4DRD3DRD1
SCHEMBL4675342 1.00 CA2 (0.42) CA2DRD2DRD4DRD3DRD1
SCHEMBL4675084 0.90 ADRB3 (0.41) DRD2DRD4DRD3
SCHEMBL7112548 0.90 ADRB3 (0.41) DRD2DRD4DRD3
SCHEMBL4675080 0.90 ADRB3 (0.41) DRD2DRD4DRD3
SCHEMBL4670486 0.89 ADRB3 (0.41)
SCHEMBL4672102 0.89 ADRB3 (0.41)
SCHEMBL4671887 0.89 ADRB3 (0.41)
SCHEMBL4670116 0.89 ADRB3 (0.41)
SCHEMBL4672101 0.89 ADRB3 (0.41)

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
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 US disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 CA2 1108/4885DRD2 482/4885DRD4 805/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 CA2 1286/4885DRD2 400/4885DRD4 673/4885

“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.