SCHEMBL4673203

SCHEMBL4673203

CC(C)COC(=O)[C@@H]1CCc2cc(S(=O)(=O)Nc3ccc(-n4nnn(CCCC5CCCC5)c4=O)cc3)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.47
ADRB1 P08588 10/20 0.47
ADRB3 P13945 9/20 0.47
TRIM24 O15164 1/20 0.34
BRD1 O95696 1/20 0.34
BRPF1 P55201 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
OPRK1 P41145 1/20 0.33
PAX8 Q06710 2/20 0.32
MOGAT2 Q3SYC2 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL4670422 0.95 ADRB2 (0.46) ADRB2ADRB1ADRB3TRIM24CYP4F2
SCHEMBL14143599 0.95 ADRB2 (0.46) ADRB2ADRB1ADRB3TRIM24CYP4F2
SCHEMBL4670517 0.88 ADRB2 (0.49) ADRB2ADRB1ADRB3TRIM24BRD1
SCHEMBL4672064 0.88 ADRB2 (0.49) ADRB2ADRB1ADRB3TRIM24BRD1
SCHEMBL14143369 0.82 ADRB2 (0.48) ADRB2ADRB1ADRB3TRIM24BRD1
SCHEMBL14143370 0.75 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL4673248 0.74 ADRB3 (0.55) ADRB2ADRB1ADRB3
SCHEMBL14143437 0.74 ADRB3 (0.55) ADRB2ADRB1ADRB3
SCHEMBL4673806 0.74 ADRB3 (0.55) ADRB2ADRB1ADRB3
SCHEMBL4670404 0.74 ADRB2 (0.49) ADRB2ADRB1ADRB3TRIM24BRD1

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
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
EP-1054881-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-11-29 EP disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed
WO-1999032475-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB2 2/4885ADRB1 3/4885ADRB3 1/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 ADRB2 2/4885ADRB1 3/4885ADRB3 1/4885

“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.