SCHEMBL5377823

SCHEMBL5377823

O=c1[nH]c2c(O)ccc(CCNCCNS(=O)(=O)CCOCCc3ccccc3)c2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 1.00
ADRB2 P07550 18/20 0.75
ADRB1 P08588 2/20 0.75
DRD2 P14416 2/20 0.75
PDE4A P27815 1/20 0.75

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
Hydrochloric Acid SCHEMBL8099419 0.99 ABCB11 (0.98) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8095472 0.91 ABCB11 (0.84) ABCB11ADRB2ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL8088900 0.91 ABCB11 (0.82) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8528403 0.88 ABCB11 (0.93) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8134195 0.87 ABCB11 (0.77) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8527857 0.87 ADRB2 (0.78) ABCB11ADRB2ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL8527365 0.87 ABCB11 (0.92) ABCB11ADRB2ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL8528391 0.86 ADRB2 (0.76) ABCB11ADRB2ADRB1DRD2PDE4A
Sibenadet SCHEMBL48983 0.86 ADRB2 (1.00) ABCB11ADRB2ADRB1DRD2PDE4A
Sibenadet SCHEMBL30438496 0.86 ADRB2 (1.00) ABCB11ADRB2ADRB1DRD2PDE4A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163672-B2 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2007-01-16 US claimed
EP-1345591-B1 PHARMACEUTICAL AEROSOL FORMULATION ASTRAZENECA AB (SE) 2005-03-02 EP claimed
US-20040082520-A1 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2004-04-29 US claimed
EP-1345591-A1 PHARMACEUTICAL AEROSOL FORMULATION AstraZeneca AB (SE) 2003-09-24 EP claimed
WO-2002049616-A1 PHARMACEUTICAL AEROSOL FORMULATION ASTRAZENECA AB (SE) 2002-06-27 WO claimed
CN-1073098-C Benzothiazolone derivatives ASTRA ZENICA LTD (SE) 2001-10-17 CN claimed
EP-0850232-B1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMA PROD (GB) 2000-03-15 EP claimed
CN-1202163-A Benzothiazolone derivatives ASTRA PHARMA PROD (GB) 1998-12-16 CN claimed
EP-0850232-A1 BENZOTHIAZOLONE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1998-07-01 EP claimed
WO-1997010227-A1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMACEUTICALS LIMITED (GB) 1997-03-20 WO claimed
US-7163672-B2 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2007-01-16 US disclosed
EP-1345591-B1 PHARMACEUTICAL AEROSOL FORMULATION ASTRAZENECA AB (SE) 2005-03-02 EP disclosed
US-20040082520-A1 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2004-04-29 US disclosed
CN-1356323-A Benzothiazolone derivative ASTRAZENECA AB (SE) 2002-07-03 CN disclosed
CN-1073098-C Benzothiazolone derivatives ASTRA ZENICA LTD (SE) 2001-10-17 CN disclosed
US-5973167-A Intermediates for making benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-10-26 US disclosed
CN-1202163-A Benzothiazolone derivatives ASTRA PHARMA PROD (GB) 1998-12-16 CN disclosed
US-5846989-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 1998-12-08 US disclosed
EP-0850232-A1 BENZOTHIAZOLONE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1998-07-01 EP disclosed
WO-1997010227-A1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMACEUTICALS LIMITED (GB) 1997-03-20 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 (1 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-20040082520-A1 Pharmaceutical aerosol formulation ALG1, ALG8, DDOST ABCB11 319/4885ADRB2 64/4885ADRB1 65/4885

“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.