SCHEMBL4672085

SCHEMBL4672085

O=S(=O)(Cl)C1CCc2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
HTR1A P08908 6/20 0.40
SIGMAR1 Q99720 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR1D P28221 4/20 0.35
SSTR4 P31391 1/20 0.35
CA1 P00915 2/20 0.35
SLC6A4 P31645 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL6464770 0.83 CA2 (0.49) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6591026 0.83 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL30084102 0.82 HPGD (0.40) CA2CA1
SCHEMBL5981402 0.82 HPGD (0.40) CA2CA1
SCHEMBL1365698 0.80 CA2 (0.47) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8112469 0.76 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
Acetic Acid SCHEMBL27984668 0.76 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8650215 0.75 CA2 (0.46) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8117879 0.75 CA2 (0.43) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8650317 0.75 CA2 (0.49) CA2HTR1ASIGMAR1ADRA2AADRA2B

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 CA2 1108/4885HTR1A 169/4885SIGMAR1 78/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 CA2 1286/4885HTR1A 196/4885SIGMAR1 68/4885

“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.