SCHEMBL3838873

SCHEMBL3838873

COc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.62
CA2 P00918 13/20 0.62
CA9 Q16790 13/20 0.62
IKBKB O14920 2/20 0.60
CA12 O43570 7/20 0.55
CA14 Q9ULX7 3/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
CA7 P43166 2/20 0.55
CA13 Q8N1Q1 2/20 0.55
CA5A P35218 1/20 0.55
EGFR P00533 2/20 0.54
ERBB3 P21860 2/20 0.54
LMNA P02545 1/20 0.54
CDK2 P24941 1/20 0.53

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
SCHEMBL11274499 0.83 CA2 (0.59) CA1CA2CA9IKBKBCA12
SCHEMBL1633099 0.81 IKBKB (0.65) CA1CA2CA9IKBKBCA12
SCHEMBL28747203 0.80 CA1 (0.67) CA1CA2CA9IKBKBCA12
SCHEMBL24477607 0.79 CA2 (0.59) CA1CA2CA9IKBKBCA12
SCHEMBL24477734 0.79 CDK2 (0.60) CA1CA2CA9IKBKBCA12
SCHEMBL27587969 0.79 CA2 (0.58) CA1CA2CA9CA12CA14
SCHEMBL24477605 0.78 LRRK2 (0.60) CA1CA2CA9IKBKBCA12
SCHEMBL5259079 0.78 AURKA (0.59) CA1CA2CA9IKBKBCA12
Sulfameter SCHEMBL28250749 0.77 LMNA (0.89) CA1CA2CA9CA12CA14
SCHEMBL1652316 0.77 IKBKB (0.64) CA1CA2CA9IKBKBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113755911-A Cyanide-free silver-plated anti-tarnish agent and application thereof 重庆立道新材料科技有限公司 2021-12-07 CN claimed
EP-0255100-A2 Use of trimetrexate and its salts for the preparation of pharmaceutical compositions for treating infections of the mycobacterium-avium-intracellulare complex WARNER-LAMBERT COMPANY (US) 1988-02-03 EP claimed
CN-113755911-A Cyanide-free silver-plated anti-tarnish agent and application thereof 重庆立道新材料科技有限公司 2021-12-07 CN disclosed
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 EP disclosed
US-7582765-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-09-01 US disclosed
US-7553971-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-06-30 US disclosed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 EP disclosed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 US disclosed
US-7125892-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2006-10-24 US disclosed
US-20060178410-A1 Preparation of N-{2-[4-(3-phenyl-4-methoxyphenyl)aminophenyl]ethyl}-2-hydroxy-2-(3-hydroxymethyl-4-hydroxyphenyl)ethylamine, for example; for the treatment of pulmonary diseases such as asthma and chronic obstructive pulmonary disease THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-10 US disclosed
EP-1641465-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID Theravance, Inc. (US) 2006-04-05 EP disclosed
WO-2005025555-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE, INC. (US) 2005-03-24 WO disclosed
EP-1446379-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2004-08-18 EP disclosed
US-20040063755-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-04-01 US disclosed
US-6670376-B1 Asthma or chronic obstructive pulmonary disease; pre-term labor, neurological and cardiac disorders, inflammation; N-(2-(4-(3-phenyl-4-methoxyphenyl) aminophenyl)ethyl)-(R)-2-hydroxy-2-(3- hydroxymethyl-4-hydroxyphenyl)ethylamine THERAVANCE, INC. 2003-12-30 US disclosed
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2003-12-11 US disclosed
WO-2003042164-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC (US) 2003-05-22 WO disclosed
EP-0255100-A2 Use of trimetrexate and its salts for the preparation of pharmaceutical compositions for treating infections of the mycobacterium-avium-intracellulare complex WARNER-LAMBERT COMPANY (US) 1988-02-03 EP 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-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 CA1 4880/4885CA2 3005/4885CA9 4621/4885
US-20040063755-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 CA1 4880/4885CA2 3687/4885CA9 4640/4885
US-20060178410-A1 Preparation of N-{2-[4-(3-phenyl-4-methoxyphenyl)aminophenyl]ethyl}-2-hydroxy-2-(3-hydroxymethyl-4-hydroxyphenyl)ethylamine, for example; for the treatment of pulmonary diseases such as asthma and chronic obstructive pulmonary disease ADRB2, ADRB3, ADRA2C CA1 4880/4885CA2 3475/4885CA9 4776/4885
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 CA1 4877/4885CA2 3305/4885CA9 4499/4885

“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.