SCHEMBL4672292

SCHEMBL4672292

NC(=O)C1CCc2cc(NS(=O)(=O)c3ccccc3)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
HTR6 P50406 3/20 0.48
PKM P14618 2/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
RCE1 Q9Y256 1/20 0.46
CYP2D6 P10635 3/20 0.44
OPRK1 P41145 3/20 0.44
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR3C1 P04150 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL4675636 0.82 PKM (0.64) PKMLMNAMAPTSMN1; SMN2
SCHEMBL4672048 0.81 HPGD (0.50) HPGDHTR6PKMLMNASMN1; SMN2
SCHEMBL29586898 0.80 MAPT (0.44) HTR6PKMLMNACYP2D6OPRK1
SCHEMBL4729495 0.79 MAPT (0.49) PKMLMNAMEN1TP53KMT2A
SCHEMBL5847604 0.76 CYP2D6 (0.53) CYP2D6OPRK1SMN1; SMN2NFKB1NFKB2
SCHEMBL5847594 0.76 CYP2D6 (0.53) CYP2D6OPRK1SMN1; SMN2NFKB1NFKB2
SCHEMBL5847599 0.76 CYP2D6 (0.53) CYP2D6OPRK1SMN1; SMN2NFKB1NFKB2
Benzenesulfonamide SCHEMBL4672289 0.75 CA2 (0.47) HPGDMEN1TP53KMT2ACYP2D6
SCHEMBL29588010 0.74 HDAC1 (0.50) HTR6NFKB1NFKB2RELA
SCHEMBL4672139 0.74 CYP4F2 (0.41) PKMCYP2D6OPRK1MAPTNFKB1

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 HPGD 4164/4885HTR6 335/4885PKM 4061/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 HPGD 3414/4885HTR6 286/4885PKM 4070/4885

“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.