SCHEMBL11885271

SCHEMBL11885271

CCSC1=C(Br)C(=O)NC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.33
S100A4 P26447 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20626665 0.84 MAP2K7 (0.39) MAP2K7S100A4CDC25ACDC25BGSK3B
SCHEMBL11885272 0.76 MAP2K7 (0.42) MAP2K7S100A4CDC25ACDC25BGSK3B
SCHEMBL11886044 0.75 PTGS2 (0.31) MAP2K7CDC25ACDC25B
SCHEMBL845296 0.66
SCHEMBL3470127 0.65
SCHEMBL1164153 0.63
SCHEMBL15203012 0.59 S100A4 (0.43) MAP2K7S100A4CDC25ACDC25B
SCHEMBL11885266 0.56 S100A4 (0.39) S100A4GSK3BKDM4E
SCHEMBL1164258 0.56 CDC25A (0.47) MAP2K7S100A4CDC25ACDC25BKDM4E
SCHEMBL3469703 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS PLC (GB) 2016-06-23 US disclosed
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS PLC (GB) 2016-06-23 US disclosed
US-9295729-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2016-03-29 US disclosed
US-20120190579-A1 Functionalisation of Solid Substrates UCL BUSINESS PLC (GB) 2012-07-26 US disclosed
US-20120190814-A1 Thiol Protecting Group UCL BUSINESS PLC (GB) 2012-07-26 US disclosed
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2012-07-26 US disclosed
WO-2011018613-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL BUSINESS PLC (GB) 2011-02-17 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 (4 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-20120190124-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MAP2K7 4326/4885S100A4 2318/4885CDC25A 656/4885
US-20120190579-A1 Functionalisation of Solid Substrates XDH, SPR, DAO MAP2K7 745/4885S100A4 3076/4885CDC25A 1637/4885
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MAP2K7 4326/4885S100A4 2318/4885CDC25A 656/4885
US-20120190814-A1 Thiol Protecting Group TXN, PRDX3, TST MAP2K7 4469/4885S100A4 1824/4885CDC25A 1005/4885

“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.