SCHEMBL614541

SCHEMBL614541

CC(C)Cc1ccc2c(c1)CC(NC(=O)OCc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
ACHE P22303 2/20 0.55
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
CTSK P43235 5/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
NAAA Q02083 2/20 0.43
DPP4 P27487 1/20 0.43
KCNH2 Q12809 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSS P25774 1/20 0.42

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
SCHEMBL614540 1.00 CA1 (0.55) CA1CA2ACHEALDH1A1GAA
SCHEMBL7902024 0.86 CA1 (0.56) CA1CA2ACHEALDH1A1GAA
SCHEMBL7973199 0.86 CA1 (0.56) CA1CA2ACHEALDH1A1GAA
SCHEMBL7898004 0.85 CA1 (0.55) CA1CA2ACHEALDH1A1GAA
SCHEMBL9471956 0.85 CA1 (0.55) CA1CA2ACHEALDH1A1GAA
SCHEMBL170233 0.83 ALDH1A1 (0.65) CA1CA2ACHEALDH1A1GAA
SCHEMBL614654 0.81 CA1 (0.56) CA1CA2ACHEALDH1A1GAA
SCHEMBL7998430 0.81 TSHR (0.58) CA1CA2ACHEALDH1A1GAA
SCHEMBL12633937 0.81 CA1 (0.56) CA1CA2ACHEALDH1A1GAA
SCHEMBL12633934 0.81 CA1 (0.56) CA1CA2ACHEALDH1A1GAA

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
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 (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-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2C CA1 3843/4885CA2 998/4885ACHE 805/4885
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity ADRB2, ADRB1, ADRA2C CA1 3843/4885CA2 998/4885ACHE 805/4885

“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.