SCHEMBL4616348

SCHEMBL4616348

CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.55

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
SCHEMBL9106215 0.82 KIF11 (0.63) KIF11
SCHEMBL4613838 0.75 KIF11 (0.72) KIF11
SCHEMBL18599373 0.73 KIF11 (0.57) KIF11
SCHEMBL26224 0.72 KIF11 (0.55) KIF11
SCHEMBL6909006 0.72 KIF11 (0.55) KIF11
SCHEMBL28183597 0.70 HSD11B1 (0.39) KIF11
SCHEMBL13741458 0.70 KIF11 (0.74) KIF11
SCHEMBL14229524 0.70 KCNN4 (0.47) KIF11
Ethyl(Trityl)Sulfane SCHEMBL4755270 0.69 KIF11 (0.56) KIF11
SCHEMBL27656875 0.69 KCNN4 (0.44) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1905904-B Novel imaging agents comprising caspase-3 inhibitors GE HEALTHCARE LTD. (GB) 2011-12-21 CN disclosed
US-20080279769-A1 Enzyme Inhibitor Imaging Agents SOLBAKKEN MAGNE 2008-11-13 US disclosed
CN-101155602-A Imaging agents comprising caspase-3 substrates GE HEALTHCARE LTD (GB) 2008-04-02 CN disclosed
EP-1682113-B1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LTD (GB) 2008-01-23 EP disclosed
EP-1853324-A1 CASPASE-3 SUBSTRATE COMPRISING IMAGING AGENTS GE Healthcare Limited (GB) 2007-11-14 EP disclosed
EP-1796736-A2 METALLOPROTEINASE INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2007-06-20 EP disclosed
US-20070104644-A1 Inhibitor imaging agents CUTHBERTSON ALAN 2007-05-10 US disclosed
EP-1763371-A2 NOVEL IMAGING AGENTS COMPRISING CASPASE-3 INHIBITORS GE Healthcare Limited (GB) 2007-03-21 EP disclosed
CN-1905904-A Novel imaging agents comprising caspase-3 inhibitors GE HEALTHCARE LTD (GB) 2007-01-31 CN disclosed
WO-2006082434-A1 CASPASE-3 SUBSTRATE COMPRISING IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2006-08-10 WO disclosed
EP-1682113-A1 INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2006-07-26 EP disclosed
US-20060120956-A1 Imaging agents comprising barbituric acid derivatives KOPKA KLAUS 2006-06-08 US disclosed
WO-2006032911-A2 METALLOPROTEINASE INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2006-03-30 WO disclosed
CN-1720050-A Improved imaging agents comprising barbituric acid derivatives AMERSHAM PLC (GB) 2006-01-11 CN disclosed
WO-2005053752-A2 NOVEL IMAGING AGENTS COMPRISING CASPASE-3 INHIBITORS GE HEALTHCARE LIMITED (GB) 2005-06-16 WO disclosed
WO-2005049005-A1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2005-06-02 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 (3 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-20060120956-A1 Imaging agents comprising barbituric acid derivatives CA5A, GABRA5, CA5B KIF11 2446/4885
US-20080279769-A1 Enzyme Inhibitor Imaging Agents MMP3, MMP1, MMP10 KIF11 2407/4885
US-20070104644-A1 Inhibitor imaging agents MMP3, MMP1, MMP10 KIF11 1836/4885

“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.