SCHEMBL3836934

SCHEMBL3836934

CC(C)(C)[Si](C)(C)Oc1cccc2ccc(OS(=O)(=O)C(F)(F)F)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
MCHR1 Q99705 7/20 0.34
SLC40A1 Q9NP59 1/20 0.34
HSD11B1 P28845 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
HTR1D P28221 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
DRD4 P21917 1/20 0.31
HTR5A P47898 1/20 0.31

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
SCHEMBL590594 0.78 MTNR1A (0.42) PDE4APDE4CPDE4DMCHR1METAP2
SCHEMBL15237684 0.78 MCHR1 (0.55) PDE4APDE4CPDE4DMCHR1DRD2
SCHEMBL17430074 0.78 MCHR1 (0.53) PDE4APDE4CPDE4DMCHR1DRD2
SCHEMBL17430077 0.78 PDE4A (0.41) PDE4APDE4CPDE4DSLC40A1HSD11B1
SCHEMBL5764703 0.78 BACE1 (0.42) PDE4APDE4CPDE4DMCHR1SLC40A1
SCHEMBL7210273 0.76 PDE4A (0.34) PDE4APDE4CPDE4DHSD11B1MTNR1A
SCHEMBL7590752 0.76 MTNR1A (0.36) PDE4APDE4CPDE4DHSD11B1MTNR1A
SCHEMBL7210527 0.75 ALDH1A1 (0.38) PDE4APDE4CPDE4DMCHR1HSD11B1
SCHEMBL22573236 0.75 PDE4A (0.46) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL7254011 0.75 MCHR1 (0.36) MCHR1CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594858-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2009-10-14 EP disclosed
US-7071337-B2 Benzoimidazole derivatives useful as antiproliferative agents PFIZER INC (US) 2006-07-04 US disclosed
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed
EP-1594858-A2 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2005-11-16 EP disclosed
US-20050124599-A1 Novel benzoimidazole derivatives useful as antiproliferative agents PFIZER INC. 2005-06-09 US disclosed
WO-2004020431-A2 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2004-03-11 WO disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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-20050124599-A1 Novel benzoimidazole derivatives useful as antiproliferative agents CCNI, CCNT1, CCNA1 PDE4A 2208/4885PDE4C 3199/4885PDE4D 3205/4885

“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.