SCHEMBL1807003

SCHEMBL1807003

NS(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.66
GRIN2A Q12879 1/20 0.66
GRIN2B Q13224 1/20 0.66
GRIN2C Q14957 1/20 0.66
KDM4E B2RXH2 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 3/20 0.65
CASP1 P29466 2/20 0.65
CASP7 P55210 2/20 0.65
HSD17B10 Q99714 2/20 0.65
USP2 O75604 2/20 0.65
CYP2C9 P11712 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP1A2 P05177 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MCL1 Q07820 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50

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
SCHEMBL1805368 0.89 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL1805841 0.88 KDM4E (0.51) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL1807002 0.86 KDM4E (0.50) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL20126527 0.86 GRIN2D (0.64) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL214909 0.80 GRIN2D (1.00) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL29620342 0.80 GRIN2D (1.00) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL22468803 0.79 KMT2A (1.00) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL29707901 0.79 KMT2A (1.00) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL3502915 0.78 MEN1 (1.00) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL1805839 0.78 CA2 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
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
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US 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

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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 GRIN2D 4496/4885GRIN2A 4502/4885GRIN2B 4298/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB GRIN2D 2608/4885GRIN2A 1509/4885GRIN2B 359/4885

“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.