SCHEMBL3835371

SCHEMBL3835371

CC(C)Oc1nc2c(OC(C)(C)C)ccc(C3CO3)c2s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13977164 1.00 ACACB (0.32) ACACBALDH1A1
SCHEMBL13860726 0.78 ALDH1A1 (0.32) ACACBALDH1A1
SCHEMBL13976844 0.78 ALDH1A1 (0.32) ACACBALDH1A1
SCHEMBL27553731 0.76 ACACB (0.34) ACACBALDH1A1
SCHEMBL13977162 0.75 ACACB (0.33) ACACBALDH1A1
SCHEMBL5239679 0.75 ACACB (0.35) ACACBALDH1A1
SCHEMBL14764721 0.74
SCHEMBL14764723 0.74
SCHEMBL6184495 0.73 ACACB (0.32) ACACB
SCHEMBL6183397 0.73 ACACB (0.34) ACACB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-20090264459-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-22 US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
EP-2037915-A2 PHENOL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES Novartis AG (CH) 2009-03-25 EP disclosed
WO-2008000483-A2 PHENOL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES NOVARTIS AG (CH) 2008-01-03 WO disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
EP-1715860-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES Novartis AG (CH) 2006-11-02 EP disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 US disclosed
WO-2005074924-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES NOVARTIS AG (CH) 2005-08-18 WO disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 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 (4 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ACACB 1932/4885ALDH1A1 829/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ACACB 1932/4885ALDH1A1 829/4885
US-20090264459-A1 Organic Compounds CFTR, AOX1, OR10J3 ACACB 3456/4885ALDH1A1 208/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 ACACB 1296/4885ALDH1A1 226/4885

“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.