SCHEMBL1263500

SCHEMBL1263500

O=C1N[C@H]2[C@H](CS[C@H]2CCCC(C(=O)O)C(=O)NCCOCCOc2ccc(CCCl)cc2)N1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.47
HSP90AB1 P08238 1/20 0.45
SORT1 Q99523 1/20 0.45
PKM P14618 2/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
TPSAB1 Q15661 3/20 0.44
PLG P00747 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
F2 P00734 2/20 0.42
PDE6D O43924 1/20 0.42

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
SCHEMBL4401352 0.86 PKM (0.60) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL16693779 0.86 PKM (0.60) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL10168530 0.86 PKM (0.60) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL12422720 0.85 PKM (0.59) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL12509708 0.85 PKM (0.59) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL12671591 0.78 F2 (0.61) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL18677718 0.75 PKM (0.49) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL31267210 0.74 TDP1 (0.61) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL31303974 0.74 TDP1 (0.61) FOLH1HSP90AB1PKMPRSS1PRSS2
SCHEMBL4464825 0.74 TDP1 (0.60) FOLH1PKMCA12CA1CA2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604745-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) 2020-03-31 US disclosed
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-B1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORP (US) 2018-11-14 EP disclosed
US-10101332-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2018-10-16 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
EP-2395358-B1 Covalent tethering of functional groups to proteins PROMEGA CORP (US) 2017-03-29 EP 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-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-20080274488-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2008-11-06 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
EP-1782071-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORPORATION (US) 2007-05-09 EP disclosed
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2007-04-19 US disclosed
WO-2006093529-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORPORATION (US) 2006-09-08 WO disclosed
US-20060024808-A1 Covalent tethering of functional groups to proteins and substrates therefor JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2006-02-02 US disclosed
US-20050272114-A1 Substrates for covalent tethering to proteins JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2005-12-08 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 (7 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 FOLH1 63/4885HSP90AB1 989/4885SORT1 315/4885
US-20050272114-A1 Substrates for covalent tethering to proteins DDHD2, ABHD14B, AHCYL1 FOLH1 38/4885HSP90AB1 641/4885SORT1 541/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 FOLH1 63/4885HSP90AB1 989/4885SORT1 315/4885
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 FOLH1 81/4885HSP90AB1 1199/4885SORT1 1380/4885
US-10604745-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 HDHD5, DDT, DDAH1 FOLH1 81/4885HSP90AB1 1199/4885SORT1 1380/4885
US-10101332-B2 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 FOLH1 63/4885HSP90AB1 989/4885SORT1 315/4885
US-20060024808-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 FOLH1 63/4885HSP90AB1 989/4885SORT1 315/4885

“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.