SCHEMBL1459627 — 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	5/20	0.51

▸	CA1 known ✓	P00915	5/20	0.51

▸	CA2 known ✓	P00918	5/20	0.51

▸	CA4 known ✓	P22748	1/20	0.45

▸	CASP6	P55212	2/20	0.65

▸	NSD2	O96028	1/20	0.65

▸	GAA	P10253	1/20	0.65

▸	PLCG1	P19174	1/20	0.65

▸	DNMT1	P26358	1/20	0.65

▸	L3MBTL1	Q9Y468	1/20	0.65

▸	ALDH1A1	P00352	5/20	0.61

▸	MEN1	O00255	2/20	0.61

▸	POLB	P06746	2/20	0.61

▸	KMT2A	Q03164	2/20	0.61

▸	PKM	P14618	1/20	0.61

▸	TDP1	Q9NUW8	4/20	0.59

▸	HPGD	P15428	1/20	0.59

▸	MAPT	P10636	1/20	0.56

▸	CYP3A4	P08684	1/20	0.56

▸	ALOX15	P16050	1/20	0.56

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
SCHEMBL1131324	0.98	CASP6 (0.67)	CASP6NSD2GAAPLCG1DNMT1
SCHEMBL1366872	0.96	CASP6 (0.65)	CASP6NSD2GAAPLCG1DNMT1
Butylamine SCHEMBL11743943	0.84	ALDH1A1 (0.52)	CASP6NSD2GAAPLCG1DNMT1
SCHEMBL11758589	0.84	CASP6 (0.67)	CASP6NSD2GAAPLCG1DNMT1
SCHEMBL1366871	0.84	MEN1 (0.63)	CASP6NSD2GAAPLCG1DNMT1
SCHEMBL10343077	0.83	ALDH1A1 (0.61)	CASP6NSD2GAAPLCG1DNMT1
SCHEMBL10959232	0.83	CASP6 (0.58)	CASP6NSD2GAAPLCG1DNMT1
SCHEMBL1564742	0.83	KMT2A (0.67)	CASP6NSD2GAAPLCG1DNMT1
SCHEMBL30932792	0.83	KMT2A (0.67)	CASP6NSD2GAAPLCG1DNMT1
SCHEMBL10531279	0.83	MAPT (0.53)	CASP6NSD2GAAPLCG1DNMT1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8178271-B2	Polymer having a sulfonic group or a sulfonate group and an amide group and method of producing same	CANON KABUSHIKI KAISHA (JP)	2012-05-15	—	—	US	disclosed
EP-2292670-A2	Charge control agent, toner, image forming method, and image forming apparatus	Canon Kabushiki Kaisha (JP)	2011-03-09	—	—	EP	disclosed
US-20100233610-A1	POLYMER HAVING A SULFONIC GROUP OR A SULFONATE GROUP AND AN AMIDE GROUP AND METHOD OF PRODUCING SAME	CANON KABUSHIKI KAISHA (JP)	2010-09-16	—	—	US	disclosed
US-7795363-B2	Polymer having a sulfonic group or a sulfonate group and an amide group and method of producing same	CANON KABUSHIKI KAISHA (JP)	2010-09-14	—	—	US	disclosed
US-20100121023-A1	POLYMER HAVING A SULFONIC GROUP OR A SULFONATE GROUP AND AN AMIDE GROUP AND METHOD OF PRODUCING SAME	CANON KABUSHIKI KAISHA (JP)	2010-05-13	—	—	US	disclosed
EP-2184645-A2	Charge control agent, toner, image forming method and image forming apparatus	Canon Kabushiki Kaisha (JP)	2010-05-12	—	—	EP	disclosed
EP-1758949-B1	POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF	CANON KK (JP)	2010-01-13	—	—	EP	disclosed
US-7638590-B2	Polyhydroxyalkanoate having amide, sulfonic acid or sulfonate ester group, charge control agent and toner	CANON KABUSHIKI KAISHA (JP)	2009-12-29	—	—	US	disclosed
US-7638194-B2	Developer carrying member, and developing assembly	CANON KABUSHIKI KAISHA (JP)	2009-12-29	—	—	US	disclosed
US-7589156-B2	Polyhydroxyalkanoic acid having ester, carboxyl or sulfonic acid group, and producing method therefor	CANON KABUSHIKI KAISHA (JP)	2009-09-15	—	—	US	disclosed
WO-2005121204-A2	POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR	CANON KABUSHIKI KAISHA (JP)	2005-12-22	—	—	WO	disclosed
WO-2005121208-A1	POLYHYDROXYALKANOIC ACID HAVING ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR	CANON KABUSHIKI KAISHA (JP)	2005-12-22	—	—	WO	disclosed
WO-2005121206-A2	POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF	CANON KABUSHIKI KAISHA (JP)	2005-12-22	—	—	WO	disclosed
WO-2005108441-A2	POLYMER HAVING A SULFONIC GROUP OR A SULFONATE GROUP AND AN AMIDE GROUP AND METHOD OF PRODUCING SAME	CANON KABUSHIKI KAISHA (JP)	2005-11-17	—	—	WO	disclosed
EP-1579276-A1	NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER	CANON KABUSHIKI KAISHA (JP)	2005-09-28	—	—	EP	disclosed
EP-1086076-B1	SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE	VERTEX PHARMA (US)	2004-12-22	—	—	EP	disclosed
WO-2004061529-A1	NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER	CANON KABUSHIKI KAISHA (JP)	2004-07-22	—	—	WO	disclosed
US-20040097594-A1	Sulfonamide inhibitors of aspartyl protease	HALE MICHAEL ROBIN (US)	2004-05-20	—	—	US	disclosed
US-6613743-B2	Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2003-09-02	—	—	US	disclosed
US-20020049201-A1	Sulfonamide inhibitors of aspartyl protease	VERTEX PHARMACEUTICALS INCORPORATED	2002-04-25	—	—	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 (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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20040097594-A1	Sulfonamide inhibitors of aspartyl protease	SPINT2, PRSS1, DNPEP	CA12 397/4885CA1 394/4885CA2 409/4885
US-20020049201-A1	Sulfonamide inhibitors of aspartyl protease	SPINT2, PRSS1, DNPEP	CA12 397/4885CA1 394/4885CA2 409/4885

“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.