SCHEMBL6369243

SCHEMBL6369243

Cc1ccc(-n2c([S+]([O-])c3ccccc3)nc3ccc(OCCCCCC(=O)O)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
DPP4 P27487 6/20 0.44
PDE3B Q13370 5/20 0.42
PDE3A Q14432 5/20 0.42
PDE2A O00408 4/20 0.42
LTB4R Q15722 1/20 0.41
AR P10275 1/20 0.41
P2RY12 Q9H244 2/20 0.39
PLA2G2A P14555 1/20 0.39
CYP1A2 P05177 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ACSL1 P33121 1/20 0.39
ACSL6 Q9UKU0 1/20 0.39

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
SCHEMBL5417434 0.92 PDE3B (0.44) PPARGPPARADPP4PDE3BPDE3A
SCHEMBL6585534 0.89 PDE10A (0.43) PDE2ACYP1A2PDE10A
SCHEMBL5420162 0.88 PPARG (0.43) PPARGPPARADPP4PDE3BPDE3A
SCHEMBL6377586 0.86 DPP4 (0.48) PPARGPPARADPP4PDE3BPDE3A
SCHEMBL6377580 0.86 PDE3B (0.42) PPARGPPARADPP4PDE3BPDE3A
SCHEMBL2327181 0.83 PPARG (0.52) PPARGPPARADPP4PDE3BPDE3A
SCHEMBL5417074 0.82 PPARG (0.49) PPARGPPARADPP4PDE3BPDE3A
SCHEMBL2329776 0.81 SIRT2 (0.51) PPARGPPARADPP4PDE3BPDE3A
SCHEMBL6584067 0.81 PDE3B (0.48) PPARGPPARADPP4PDE3BPDE3A
SCHEMBL6582267 0.81 PDE3B (0.48) PPARGPPARADPP4PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
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 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 (1 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-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 PPARG 152/4885PPARA 279/4885DPP4 1805/4885

“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.