SCHEMBL5417467

SCHEMBL5417467

CCCS(=O)(=O)c1nc2ccc(OCCCCCC(=O)OC)cc2n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.46
PDE3A Q14432 9/20 0.46
P2RY12 Q9H244 7/20 0.46
PDE2A O00408 3/20 0.46
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LTB4R Q15722 1/20 0.41
CYP1A2 P05177 6/20 0.41
PDE10A Q9Y233 6/20 0.41
ACSS2 Q9NR19 1/20 0.40
FGFR1 P11362 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL5414898 0.92 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5419625 0.92 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5410430 0.89 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6168443 0.86 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL6597060 0.86 MEN1 (0.39) PDE3BPDE3AP2RY12PDE2A
SCHEMBL5422031 0.85 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5412443 0.84 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL5408087 0.82 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5418895 0.82 PDE3B (0.52) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5409690 0.82 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404656-B9 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-10-19 EP claimed
EP-1404656-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-05-18 EP claimed
EP-1404656-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-07 EP claimed
US-20030125550-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-07-03 US claimed
WO-2003006438-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-23 WO claimed
US-7196202-B2 1-aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2007-03-27 US disclosed
EP-1404656-B9 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-10-19 EP disclosed
US-20050143439-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-30 US disclosed
US-6903126-B2 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2005-06-07 US disclosed
EP-1404656-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-05-18 EP disclosed
US-20030125550-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-07-03 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030125550-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives MSR1, ARG2, ARG1 PDE3B 471/4885PDE3A 476/4885P2RY12 640/4885
US-20050143439-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives MSR1, ARG2, CYBB PDE3B 323/4885PDE3A 386/4885P2RY12 335/4885

“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.