SCHEMBL6283980

SCHEMBL6283980

O=C(NS(=O)(=O)c1ccc(F)cc1)c1cccc(-c2ccc3c(c2)CC[C@H](CNC[C@H](O)c2cccnc2)O3)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
ADRB3 P13945 18/20 0.42
ADRB2 P07550 16/20 0.42
ADRB1 P08588 16/20 0.42
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL6283986 1.00 PTGS2 (0.46) PTGS2ADRB3ADRB2ADRB1BCL2L1
SCHEMBL6279905 0.94 ADRB3 (0.45) PTGS2ADRB3ADRB2ADRB1
SCHEMBL6279899 0.94 ADRB3 (0.45) PTGS2ADRB3ADRB2ADRB1
SCHEMBL6284594 0.91 ADRB3 (0.42) ADRB3ADRB2ADRB1BCL2L1MCL1
SCHEMBL6284587 0.91 ADRB3 (0.42) ADRB3ADRB2ADRB1BCL2L1MCL1
SCHEMBL6284156 0.91 ADRB3 (0.47) PTGS2ADRB3ADRB2ADRB1
SCHEMBL6601801 0.91 ADRB3 (0.47) PTGS2ADRB3ADRB2ADRB1
SCHEMBL6284152 0.91 ADRB3 (0.47) PTGS2ADRB3ADRB2ADRB1
SCHEMBL6284821 0.89 ADRB3 (0.48) ADRB3ADRB2ADRB1
SCHEMBL6284829 0.89 ADRB3 (0.48) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 US claimed
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP claimed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US claimed
EP-1389202-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Pharmaceuticals Corporation (US) 2004-02-18 EP claimed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US claimed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US claimed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 WO claimed
US-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 US disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 US disclosed
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US disclosed
EP-1389202-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Pharmaceuticals Corporation (US) 2004-02-18 EP disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 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 (3 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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 PTGS2 1720/4885ADRB3 1/4885ADRB2 2/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 PTGS2 1720/4885ADRB3 1/4885ADRB2 2/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 PTGS2 1720/4885ADRB3 1/4885ADRB2 2/4885

“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.