SCHEMBL4670056

SCHEMBL4670056

O=c1n(CCCC2CCCCC2)nnn1-c1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.47
ADRB1 P08588 5/20 0.47
ADRB3 P13945 5/20 0.47
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CEL P19835 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GBA1 P04062 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
NAAA Q02083 2/20 0.32
ASAH1 Q13510 1/20 0.32
ROCK2 O75116 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
SCHEMBL6075451 0.99 ADRB2 (0.48) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL4670059 0.84 ADRB2 (0.42) ADRB2ADRB1ADRB3CELGBA1
SCHEMBL4670041 0.83 ADRB2 (0.42) ADRB2ADRB1ADRB3GBA1HPGD
SCHEMBL4672275 0.82 ALDH1A1 (0.44) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL8335732 0.82 ADRB2 (0.43) ADRB2ADRB1ADRB3KMT2AHPGD
Water SCHEMBL4672111 0.81 ADRB2 (0.42) ADRB2ADRB1ADRB3GBA1TDP1
Water SCHEMBL4673070 0.81 ADRB2 (0.42) ADRB2ADRB1ADRB3GBA1TDP1
SCHEMBL8172699 0.81 ADRB2 (0.41) ADRB2ADRB1ADRB3CELMEN1
SCHEMBL8331667 0.81 ALDH1A1 (0.42) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL4670093 0.81 NPSR1 (0.40) ADRB2ADRB1ADRB3CELGBA1

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.