SCHEMBL10168530

SCHEMBL10168530

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOc1ccc(CCCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.60
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
PRSS1 P07477 2/20 0.57
PRSS2 P07478 2/20 0.57
PRSS3 P35030 2/20 0.57
TPSAB1 Q15661 2/20 0.57
F2 P00734 1/20 0.57
HSP90AB1 P08238 1/20 0.56
FOLH1 Q04609 4/20 0.54
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CAMK2B Q13554 1/20 0.52
KDM1A O60341 5/20 0.52
TDP1 Q9NUW8 1/20 0.51
PLG P00747 1/20 0.51
FLT1 P17948 1/20 0.51

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
SCHEMBL16693779 1.00 PKM (0.60) PKMCA12CA1CA2CA9
SCHEMBL4401352 1.00 PKM (0.60) PKMCA12CA1CA2CA9
SCHEMBL12422720 0.99 PKM (0.59) PKMCA12CA1CA2CA9
SCHEMBL12509708 0.99 PKM (0.59) PKMCA12CA1CA2CA9
SCHEMBL12671591 0.92 F2 (0.61) PKMCA12CA1CA2CA9
SCHEMBL18677718 0.89 PKM (0.49) PKMCA12CA1CA2CA9
SCHEMBL1263500 0.86 FOLH1 (0.47) PKMCA12CA1CA2CA9
SCHEMBL997504 0.85 F2 (0.67) PKMCA12CA1CA2CA9
SCHEMBL15216220 0.85 F2 (0.73) PKMCA12CA1CA2CA9
SCHEMBL19751698 0.85 F2 (0.73) PKMCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190085305-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-03-21 US disclosed
EP-3179252-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR Promega Corporation (US) 2017-06-14 EP disclosed
EP-2395078-B1 Covalent tethering of functional groups to proteins PROMEGA CORP (US) 2017-05-10 EP disclosed
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-04-06 US disclosed
US-9416353-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2016-08-16 US disclosed
US-20150140587-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE PROMEGA CORP (US) 2015-05-21 US disclosed
US-20150125924-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2015-05-07 US disclosed
EP-1782071-B1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORP (US) 2014-10-08 EP disclosed
US-8779221-B2 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule PROMEGA CORPORATION (US) 2014-07-15 US disclosed
US-8742086-B2 Polynucleotide encoding a mutant dehalogenase to allow tethering to functional groups and substrates PROMEGA CORPORATION (US) 2014-06-03 US disclosed
US-8466269-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2013-06-18 US disclosed
US-20120330001-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE PROMEGA CORPORATION (US) 2012-12-27 US disclosed
US-20120220013-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORPORATION (US) 2012-08-30 US disclosed
US-8168405-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2012-05-01 US disclosed
US-20110171673-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2011-07-14 US disclosed
US-7888086-B2 mutant hydrolase forms stable bond with dehalogenase substrate; beta-lactamases; fusion proteins; cell labelling; tissue target therapy PROMEGA CORPORATION (US) 2011-02-15 US disclosed
US-20090098627-A1 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule PROMEGA CORPORATION 2009-04-16 US disclosed
US-7429472-B2 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule PROMEGA CORPORATION 2008-09-30 US disclosed
US-7425436-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2008-09-16 US disclosed
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2007-04-19 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 (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-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 PKM 4140/4885CA12 4286/4885CA1 3873/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 PKM 4140/4885CA12 4286/4885CA1 3873/4885
US-20190085305-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE HDHD5, DDT, DDAH1 PKM 3444/4885CA12 1929/4885CA1 1817/4885
US-20120330001-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE HDHD5, DDT, DDAH1 PKM 3444/4885CA12 1929/4885CA1 1817/4885

“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.