SCHEMBL5397349

SCHEMBL5397349

O=c1[nH]c2c(O)ccc(CCNCCCS(=O)(=O)CCOCCc3cccc4ccccc34)c2s1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.72
ADRB2 P07550 18/20 0.67
ADRB1 P08588 3/20 0.67
DRD2 P14416 2/20 0.67
PDE4A P27815 1/20 0.67

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 SCHEMBL7791110 0.99 ABCB11 (0.71) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8528222 0.88 ABCB11 (0.74) ABCB11ADRB2ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL8532220 0.88 ABCB11 (0.73) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8528403 0.87 ABCB11 (0.93) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL7795607 0.87 ADRB2 (0.58) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL4535621 0.87 ADRB2 (0.83) ABCB11ADRB2ADRB1DRD2
Hydrochloric Acid SCHEMBL8527365 0.86 ABCB11 (0.92) ABCB11ADRB2ADRB1DRD2PDE4A
Carboxynaphthol SCHEMBL8533680 0.85 ABCB11 (0.74) ABCB11ADRB2ADRB1DRD2PDE4A
Cadaverine Tartrate SCHEMBL8527693 0.82 ABCB11 (0.83) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL7842148 0.82 ADRB2 (0.63) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163672-B2 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2007-01-16 US claimed
JP-2007500254-A 2007-01-11 JP claimed
EP-1646691-A1 QUINACRIDONE PIGMENT COMPOSITIONS COMPRISING UNSYMMETRICALLY SUBSTITUTED COMPONENTS Ciba SC Holding AG (CH) 2006-04-19 EP claimed
EP-1345591-B1 PHARMACEUTICAL AEROSOL FORMULATION ASTRAZENECA AB (SE) 2005-03-02 EP claimed
WO-2005014728-A1 QUINACRIDONE PIGMENT COMPOSITIONS COMPRISING UNSYMMETRICALLY SUBSTITUTED COMPONENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-17 WO 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
US-7163672-B2 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2007-01-16 US disclosed
EP-1735270-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-12-27 EP disclosed
WO-2005070877-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO 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
WO-1997045422-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE 10-AMINOALIPHATYL-DIBENZ[b,f]OXEPINE SALTS NOVARTIS AG (CH) 1997-12-04 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.