SCHEMBL4454628

SCHEMBL4454628

COc1ccccc1-c1ccsc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.56
STK10 O94804 2/20 0.51
SLK Q9H2G2 2/20 0.51
APP P05067 1/20 0.50
ADRA2A P08913 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
CYP2A6 P11509 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2B6 P20813 1/20 0.47
HTR7 P34969 2/20 0.45
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45

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
SCHEMBL30340102 1.00 FYN (0.56) FYNSTK10SLKAPPADRA2A
SCHEMBL4446297 0.79 TUBB4A (0.47) FYNSTK10SLKCYP2A6TUBB4A
SCHEMBL4946960 0.79 CYP2A6 (0.64) ADRA2AADRA2BADRA2CCYP2A6ADRA1D
SCHEMBL17641740 0.78 NCOA1 (0.50) FYNADRA2AADRA2BADRA2CCYP2A6
SCHEMBL10762758 0.77 SIK1 (0.60) CYP2A6CYP2E1CYP2B6CA12CA1
SCHEMBL8503242 0.77 MAOB (0.52) CYP2A6CYP2E1CYP2B6CA12CA1
SCHEMBL5991073 0.77 CYP2A6 (0.47) FYNCYP2A6TUBB4ATUBBTUBA3C
SCHEMBL2898794 0.76 ADRB2 (0.49) FYNADRA1DADRA1AADRA1BALDH1A1
SCHEMBL9210379 0.75 APP (0.57) APPADRA2BHTR7CA12CA1
SCHEMBL28906270 0.75 ADRA2A (0.44) FYNSTK10SLKADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721615-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed
US-20200283454-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-10 US disclosed
EP-3686201-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
CN-109721615-A Inhibitors of influenza viruses replication and application thereof 广东东阳光药业有限公司 2019-05-07 CN disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
US-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 US disclosed
EP-1421078-B1 INDOLE DERIVATIVES AS BETA-3 ADRENERGIC AGONISTS FOR THE TREATMENT OF TYPE 2 DIABETES LILLY CO ELI (US) 2006-09-27 EP disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US disclosed
US-20050080110-A1 Beta 3 adrenergic agonists SALL DANIEL JON (US) 2005-04-14 US disclosed
EP-1421078-A1 BETA-3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-05-26 EP disclosed
WO-2003016307-A1 β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A FYN 3417/4885STK10 2153/4885SLK 4168/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A FYN 3417/4885STK10 2153/4885SLK 4168/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 FYN 2796/4885STK10 2689/4885SLK 2083/4885
US-20200283454-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF RTF2, POLRMT, RTF1 FYN 3313/4885STK10 4065/4885SLK 3429/4885

“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.