SCHEMBL1248925

SCHEMBL1248925

O=C(O)COc1ccc(C=C2SC(=O)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 1.00
PIM1 P11309 3/20 0.68
PIM2 Q9P1W9 3/20 0.68
HPGD P15428 6/20 0.65
POLB P06746 2/20 0.65
MAOA P21397 2/20 0.65
MAOB P27338 2/20 0.65
PTPN1 P18031 2/20 0.65
PTPN22 Q9Y2R2 2/20 0.64
PTPN7 P35236 1/20 0.64
DUSP3 P51452 1/20 0.64
PTPN5 P54829 1/20 0.64
PTPN12 Q05209 1/20 0.64
PTPN11 Q06124 1/20 0.64
PTGS2 P35354 1/20 0.63
AKR1B1 P15121 2/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL6269580 1.00 GPR35 (1.00) GPR35PIM1PIM2HPGDPOLB
SCHEMBL1248923 1.00 GPR35 (1.00) GPR35PIM1PIM2HPGDPOLB
SCHEMBL6275377 0.89 GPR35 (0.81) GPR35POLBPTPN22PTPN7DUSP3
SCHEMBL6275371 0.89 GPR35 (0.81) GPR35POLBPTPN22PTPN7DUSP3
SCHEMBL6275382 0.89 GPR35 (0.81) GPR35POLBPTPN22PTPN7DUSP3
SCHEMBL12891631 0.87 GPR35 (0.78) GPR35PIM1PIM2HPGDPOLB
SCHEMBL1249289 0.87 GPR35 (0.77) GPR35PIM1PIM2HPGDAKR1B1
SCHEMBL1249290 0.87 GPR35 (0.77) GPR35PIM1PIM2HPGDAKR1B1
SCHEMBL12892078 0.87 GPR35 (0.77) GPR35PIM1PIM2HPGDAKR1B1
SCHEMBL15164617 0.85 GPR35 (0.74) GPR35PIM1PIM2HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005119252-A2 MODULATORS OF GPR35 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2005-12-15 WO claimed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 WO 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
EP-1768694-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2007-04-04 EP disclosed
US-20060258561-A1 Novel NPH insulin preparations NOVO NORDISK A/S (DK) 2006-11-16 US disclosed
WO-2006082245-A1 PHARMACEUTICAL PREPARATIONS COMPRISING INSULIN, ZINC IONS AND A ZINC-BINDING LIGAND NOVO NORDISK A/S (DK) 2006-08-10 WO disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US disclosed
WO-2006005683-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2006-01-19 WO disclosed
EP-1610812-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2006-01-04 EP disclosed
EP-1605967-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2005-12-21 EP disclosed
WO-2005119252-A2 MODULATORS OF GPR35 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2005-12-15 WO 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-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO 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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 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 GPR35 1414/4885PIM1 3313/4885PIM2 3745/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR GPR35 1027/4885PIM1 4279/4885PIM2 4562/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 GPR35 1184/4885PIM1 4412/4885PIM2 4504/4885
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 GPR35 753/4885PIM1 3653/4885PIM2 4144/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB GPR35 804/4885PIM1 3773/4885PIM2 4301/4885

“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.