SCHEMBL1250011

SCHEMBL1250011

COc1ccc(OC)c(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(C=C3SC(=O)NC3=O)c2C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
HPGD P15428 2/20 0.68
HTT P42858 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
PTGS2 P35354 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ATM Q13315 1/20 0.53
GLS O94925 4/20 0.49
GLS2 Q9UI32 4/20 0.49
GSK3B P49841 3/20 0.46
NR1H4 Q96RI1 4/20 0.44
PTPN1 P18031 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1250010 1.00 ALDH1A1 (0.68) ALDH1A1HPGDHTTNPSR1KDM4E
SCHEMBL1250013 0.79 NR1H4 (0.56) PTGS2NPC1RAB9AATMGLS
SCHEMBL1250012 0.79 NR1H4 (0.56) PTGS2NPC1RAB9AATMGLS
SCHEMBL15101838 0.72 GSK3B (0.70) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL15091371 0.72 GSK3B (0.70) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL1248964 0.70 CA2 (0.76) HPGDNPC1RAB9AATMGSK3B
SCHEMBL15421728 0.70 CA2 (0.76) HPGDNPC1RAB9AATMGSK3B
SCHEMBL1248963 0.70 CA2 (0.76) HPGDNPC1RAB9AATMGSK3B
SCHEMBL5820461 0.66 ALDH1A1 (0.40) ALDH1A1HPGDHTTNPSR1KDM4E
SCHEMBL14081848 0.65 GSK3B (0.68) HPGDNPC1RAB9AATMGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 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
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 EP disclosed
US-20060258561-A1 Novel NPH insulin preparations NOVO NORDISK A/S (DK) 2006-11-16 US disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US disclosed
EP-1610812-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2006-01-04 EP disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 US disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 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 (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-20060258561-A1 Novel NPH insulin preparations IAPP, HBB, INSR ALDH1A1 4866/4885HPGD 3521/4885HTT 17/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR ALDH1A1 4795/4885HPGD 2233/4885HTT 133/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 ALDH1A1 4873/4885HPGD 3173/4885HTT 486/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR ALDH1A1 4878/4885HPGD 4068/4885HTT 71/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB ALDH1A1 4836/4885HPGD 3478/4885HTT 190/4885

“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.