SCHEMBL616683

SCHEMBL616683

CC(C)Oc1nc2cc(OC(C)(C)C)cc([C@@H](O)CO)c2s1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL616209 1.00 PTGS1 (0.30) PTGS1TRPV1
SCHEMBL14771565 0.91 PTGS1 (0.30) PTGS1TRPV1
SCHEMBL614149 0.84
SCHEMBL19059648 0.80
SCHEMBL615848 0.80 ADRB1 (0.43)
SCHEMBL14771566 0.79 KDM4E (0.30)
SCHEMBL5202367 0.79 PPARG (0.32)
SCHEMBL19020058 0.78
SCHEMBL614538 0.77
SCHEMBL616795 0.77 ADRB1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187942-B Benzothiazolone compounds 诺华股份有限公司 2020-06-26 CN disclosed
US-10251868-B2 Benzothiazolone compound NOVARTIS AG (CH) 2019-04-09 US disclosed
US-10251868-B2 Benzothiazolone compound NOVARTIS AG (CH) 2019-04-09 US disclosed
US-20180140582-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2018-05-24 US disclosed
US-20180140582-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2018-05-24 US disclosed
US-20180140582-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2018-05-24 US disclosed
US-9913828-B2 Benzothiazolone compound NOVARTIS AG (CH) 2018-03-13 US disclosed
US-9913828-B2 Benzothiazolone compound NOVARTIS AG (CH) 2018-03-13 US disclosed
US-9913828-B2 Benzothiazolone compound NOVARTIS AG (CH) 2018-03-13 US disclosed
EP-3243817-A1 SALTS OF BENZOTHIAZOLONE COMPOUND AS BETA-2-ADRENOCEPTOR AGONIST Novartis AG (CH) 2017-11-15 EP disclosed
US-20130245080-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2013-09-19 US disclosed
US-20130245080-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2013-09-19 US disclosed
WO-2013035047-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2013-03-14 WO disclosed
US-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG 2012-02-16 US disclosed
US-8076489-B2 3H-benzothiazol-2-one derivatives, for example, (R)-7-[2-(1,1-dimethyl-2-phenyl-ethylamino)-1-hydroxy-ethyl]-5-hydroxy-3H-benzothiazol-2-one; useful for treating conditions that are prevented or alleviated by activation of the beta 2-adrenoreceptor NOVARTIS AG (CH) 2011-12-13 US disclosed
EP-1819686-B1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2011-08-17 EP disclosed
EP-2305659-A1 5-hydroxy-benzothiazole derivatives having beta-2-adrenoreceptor agonist activity Novartis AG (CH) 2011-04-06 EP disclosed
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity NOVARTIS AG (CH) 2008-04-24 US disclosed
EP-1819686-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY Novartis AG (CH) 2007-08-22 EP disclosed
WO-2006056471-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-01 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 (5 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-20130245080-A1 BENZOTHIAZOLONE COMPOUND SLC5A1, SLC10A1, REN PTGS1 464/4885TRPV1 363/4885
US-10251868-B2 Benzothiazolone compound SLC5A1, SLC10A1, REN PTGS1 464/4885TRPV1 363/4885
US-20180140582-A1 BENZOTHIAZOLONE COMPOUND SLC5A1, SLC10A1, REN PTGS1 464/4885TRPV1 363/4885
US-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2C PTGS1 502/4885TRPV1 48/4885
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity ADRB2, ADRB1, ADRA2C PTGS1 502/4885TRPV1 48/4885

“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.