SCHEMBL621989

SCHEMBL621989

O=C1NC(=O)/C(=C\c2ccc(O)cc2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 1.00
HPGD P15428 3/20 1.00
AKR1B1 P15121 2/20 1.00
GSK3B P49841 2/20 1.00
RAB9A P51151 1/20 1.00
NAT1 P18440 2/20 0.75
MRE11 P49959 1/20 0.75
PNP P00491 1/20 0.72
PIM1 P11309 5/20 0.70
PIM2 Q9P1W9 5/20 0.70
PIM3 Q86V86 1/20 0.70
MAOA P21397 3/20 0.68
MAOB P27338 2/20 0.68
KDM4E B2RXH2 1/20 0.66
NSD2 O96028 1/20 0.66
POLB P06746 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
MAPK1 P28482 1/20 0.66
RECQL P46063 1/20 0.66

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
SCHEMBL621990 1.00 TDP1 (1.00) TDP1HPGDAKR1B1GSK3BRAB9A
SCHEMBL621991 1.00 TDP1 (1.00) TDP1HPGDAKR1B1GSK3BRAB9A
SCHEMBL8534665 0.86 NAT1 (1.00) TDP1HPGDAKR1B1GSK3BRAB9A
Mirin SCHEMBL15421606 0.86 MRE11 (1.00) TDP1HPGDAKR1B1GSK3BRAB9A
Mirin SCHEMBL21296287 0.86 MRE11 (1.00) TDP1HPGDAKR1B1GSK3BRAB9A
SCHEMBL8174883 0.86 NAT1 (1.00) TDP1HPGDAKR1B1GSK3BRAB9A
SCHEMBL8174880 0.86 NAT1 (1.00) TDP1HPGDAKR1B1GSK3BRAB9A
Mirin SCHEMBL15421605 0.86 MRE11 (1.00) TDP1HPGDAKR1B1GSK3BRAB9A
SCHEMBL1249051 0.85 GSK3B (0.73) TDP1HPGDAKR1B1GSK3BRAB9A
SCHEMBL1249053 0.85 GSK3B (0.73) TDP1HPGDAKR1B1GSK3BRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216148-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-12-22 US claimed
US-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-01-23 US claimed
US-9896421-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2018-02-20 US disclosed
EP-2603498-B1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS OCTETA THERAPEUTICS LLC (US) 2016-11-09 EP disclosed
EP-2603507-B1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEV CO LLC (US) 2016-06-29 EP disclosed
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US disclosed
US-9216148-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-12-22 US disclosed
US-8946435-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-02-03 US disclosed
US-8933240-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-01-13 US disclosed
US-8933240-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-01-13 US disclosed
US-20140378687-A1 Synthesis for Thiazolidinedione Compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC 2014-12-25 US disclosed
US-20130204008-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-08-08 US disclosed
US-20130204008-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-08-08 US disclosed
WO-2013105753-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND METHODS FOR PREPARING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2013-07-18 WO disclosed
EP-2603507-A1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS Metabolic Solutions Development Company LLC (US) 2013-06-19 EP disclosed
WO-2012021467-A1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-02-16 WO disclosed
WO-2012021476-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-02-16 WO disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 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 (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-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD TDP1 1138/4885HPGD 489/4885AKR1B1 958/4885
US-20130204008-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS PPARG, PPARD, PPARA TDP1 4280/4885HPGD 264/4885AKR1B1 328/4885
US-20140378687-A1 Synthesis for Thiazolidinedione Compounds PPARD, PPARG, PPARA TDP1 4263/4885HPGD 233/4885AKR1B1 291/4885
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR TDP1 1176/4885HPGD 681/4885AKR1B1 1583/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB TDP1 4829/4885HPGD 3478/4885AKR1B1 3767/4885

“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.