SCHEMBL3767488 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABCC8 ACE ADORA1 ADORA2A ADORA2B ADORA3 ALDH5A1 ALOX5 ALOX5AP ATP4A ATP4B BRAF CA1 CA12 CA2 CA4 CYSLTR1 DHFR DPEP1 EDNRA EDNRB ESR2 F10 FDPS FGF1 GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GART GNRHR GSC1 HMGCR IMPDH1 IMPDH2 KCNJ11 LY96 NOD2 NR3C1 NS3 NS4A NS5b P2RY1 P2RY12 P2RY2 P2RY4 P2RY6 PBP2X PDE3A PDE3B PDE4A PDE4B PDE4C PDE4D PDK1 PDK2 PDK3 PDK4 PPARG PPAT PTGIR PTGS1 PTGS2 RAF1 RYR1 RYR3 SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SERPINC1 SLC12A1 SLC12A3 SYK THRA THRB TLR3 TLR4 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 TYMS VKORC1 XDH bla blaIMP-1 blaOXA-33 blaOXA-58 blaT-3 blaT-4 blaT-5 blaT-6 dacA dacB dacC folA folP folP1 ftsI fusA gag gyrA gyrB mecA mrcA mrcB mrdA pbp1a pbp1b pbp2 pbp2a pbp2b pbp3 pbp4 pbpA pbpB pbpC pbpF pol ponB rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpoA rpoB rpoC rpoZ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CA12 known ✓	O43570	2/20	0.44

▸	CA1 known ✓	P00915	2/20	0.44

▸	CA2 known ✓	P00918	2/20	0.44

▸	SIGMAR1	Q99720	8/20	0.56

▸	CA9	Q16790	2/20	0.44

▸	CYP1A2	P05177	2/20	0.43

▸	CYP3A4	P08684	1/20	0.43

▸	CYP2D6	P10635	1/20	0.43

▸	CYP2C9	P11712	1/20	0.43

▸	CYP2C19	P33261	1/20	0.43

▸	L3MBTL1	Q9Y468	2/20	0.40

▸	ALDH1A1	P00352	4/20	0.40

▸	KMT2A	Q03164	2/20	0.39

▸	MEN1	O00255	1/20	0.39

▸	GAA	P10253	1/20	0.39

▸	MAPT	P10636	1/20	0.39

▸	HPGD	P15428	1/20	0.39

▸	NPSR1	Q6W5P4	1/20	0.34

▸	NR4A1	P22736	1/20	0.34

▸	NR4A2	P43354	1/20	0.34

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.

Compound	similarity	top predicted	shared targets
SCHEMBL16628535	0.90	SIGMAR1 (0.47)	SIGMAR1CA12CA1CA2CA9
Zinc Ion SCHEMBL11581561	0.86	SIGMAR1 (0.47)	SIGMAR1CYP1A2CYP3A4L3MBTL1ALDH1A1
SCHEMBL16628405	0.86	SIGMAR1 (0.47)	SIGMAR1CYP1A2CYP3A4L3MBTL1ALDH1A1
SCHEMBL10786755	0.86	SIGMAR1 (0.47)	SIGMAR1CYP1A2CYP3A4L3MBTL1ALDH1A1
SCHEMBL16628473	0.86	SIGMAR1 (0.47)	SIGMAR1CYP1A2CYP3A4L3MBTL1ALDH1A1
Potassium Ion SCHEMBL16628603	0.86	SIGMAR1 (0.47)	SIGMAR1CYP1A2CYP3A4L3MBTL1ALDH1A1
SCHEMBL13007114	0.81	SIGMAR1 (0.58)	SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16628382	0.80	HPRT1 (0.47)	SIGMAR1CYP1A2CYP3A4L3MBTL1ALDH1A1
SCHEMBL9317299	0.79	ALDH1A1 (0.59)	SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9317256	0.79	ALDH1A1 (0.59)	SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1554241-B1	S-(ALPHA,ALPHA'-DISUBSTITUTED-ALPHA\"-ACETIC ACID) SUBSTITUTED DITHIOCARBONATE DERIVATIVES FOR CONTROLLED RADICAL POLYMERISATIONS, PROCESS AND POLYMERS MADE THEREFROM	LUBRIZOL ADVANCED MAT INC (US)	2015-03-18	—	—	EP	disclosed
US-7851582-B2	S-(α, α′-disubstituted-α″-acetic acid)—substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom	LUBRIZOL ADVANCED MATERIALS, INC. (US)	2010-12-14	—	—	US	disclosed
US-7498456-B2	S-(α, α′-disubstituted-α″-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerization, process and polymers made therefrom	LUBRIZOL ADVANCED MATERIALS, INC. (US)	2009-03-03	—	—	US	disclosed
US-20080214773-A1	S-(Alpha, Alpha'-Disubstituted-Alpha\"-Acetic Acid) - Substituted Dithiocarbonate Derivatives For Controlled Radical Polymerizations, Process and Polymers Made Therefrom	LAI JOHN TA-YUAN	2008-09-04	—	—	US	disclosed
US-7335788-B2	S-(α, α′-disubstituted-α″-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom	LUBRIZOL ADVANCED MATERIALS, INC. (US)	2008-02-26	—	—	US	disclosed
US-20070167571-A1	S-(Alpha, Alpha'-Disubstituted-Alpha\"-Acetic Acid) Substituted Dithiocarbonate Derivatives for Controlled Radical Polymerizations, Process and Polymers Made Therefrom	LUBRIZOL ADVANCED MATERIALS, INC.	2007-07-19	—	—	US	disclosed
US-7205368-B2	S-(α, α′-disubstituted-α′ ′-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom	NOVEON, INC. (US)	2007-04-17	—	—	US	disclosed
WO-2005080326-A1	TOUGHENED VINYL ESTER RESINS	NOVEON IP HOLDINGS CORP. (US)	2005-09-01	—	—	WO	disclosed
EP-1554241-A1	S-(ALPHA,ALPHA'-DISUBSTITUTED-ALPHA\"-ACETIC ACID) SUBSTITUTED DITHIOCARBONATE DERIVATIVES FOR CONTROLLED RADICAL POLYMERISATIONS, PROCESS AND POLYMERS MADE THEREFROM	Noveon IP Holdings Corp. (US)	2005-07-20	—	—	EP	disclosed
US-20050014910-A1	Toughened vinyl ester resins	NOVEON, INC.	2005-01-20	—	—	US	disclosed
WO-2004037780-A1	S-(a, a’ -DISUBSTITUTED-a” -ACETIC ACID) SUBSTITUTED DITHIOCARBONATE DERIVATIVES FOR CONTROLLED RADICAL POLYMERIZATIONS, PROCESS AND POLYMERS MADE THEREFROM	NOVEON IP HOLDINGS CORP. (US)	2004-05-06	—	—	WO	disclosed
US-20040073056-A1	S-(alpha, alpha'-disubstituted-alpha\"-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom	LUBRIZOL ADVANCED MATERIALS, INC.	2004-04-15	—	—	US	disclosed
US-20030120101-A1	S-(alpha, alpha'-disubstituted-alpha' '-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom	LUBRIZOL ADVANCED MATERIALS, INC.	2003-06-26	—	—	US	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20030120101-A1	S-(alpha, alpha'-disubstituted-alpha' '-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom	TST, SRM, ACMSD	CA12 1776/4885CA1 1482/4885CA2 1854/4885
US-20080214773-A1	S-(Alpha, Alpha'-Disubstituted-Alpha\"-Acetic Acid) - Substituted Dithiocarbonate Derivatives For Controlled Radical Polymerizations, Process and Polymers Made Therefrom	TST, ACMSD, ETFA	CA12 1922/4885CA1 1544/4885CA2 1798/4885
US-20070167571-A1	S-(Alpha, Alpha'-Disubstituted-Alpha\"-Acetic Acid) Substituted Dithiocarbonate Derivatives for Controlled Radical Polymerizations, Process and Polymers Made Therefrom	TST, ACMSD, SRM	CA12 1670/4885CA1 1345/4885CA2 1681/4885
US-20040073056-A1	S-(alpha, alpha'-disubstituted-alpha\"-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom	TST, ACMSD, SRM	CA12 1670/4885CA1 1345/4885CA2 1681/4885

“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.