SCHEMBL997019

SCHEMBL997019

CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCC(=O)NCCOCCOCCCCCCCl)cc3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
MAPT P10636 1/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SLC9A3 P48764 2/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4433199 0.83 MAPT (0.39) MAPTALDH1A1SLC9A3HTTL3MBTL1
SCHEMBL18950705 0.83 MAPT (0.43) MAPTALDH1A1SLC9A3HTTL3MBTL1
SCHEMBL300386 0.78 HTR6 (0.44) HTR6MAPTMMP2MMP9L3MBTL1
SCHEMBL6014544 0.76 HTR6 (0.47) HTR6MAPTMMP2MMP9HTT
SCHEMBL6014405 0.74 HTR6 (0.48) HTR6MAPTMMP2MMP9
SCHEMBL6014355 0.74 MMP9 (0.48) HTR6MAPTMMP2MMP9ALDH1A1
SCHEMBL6014512 0.73 HTR6 (0.44) HTR6MAPTMMP2MMP9ALDH1A1
SCHEMBL6014510 0.73 HTR6 (0.45) HTR6MAPTMMP2MMP9ALDH1A1
SCHEMBL6014472 0.72 MMP2 (0.47) HTR6MAPTMMP2MMP9ALDH1A1
SCHEMBL6014557 0.72 HTR6 (0.42) HTR6MAPTMMP2MMP9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028424-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2021-06-08 US disclosed
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-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORPORATION 2019-07-18 US disclosed
US-10240184-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2019-03-26 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
US-7425436-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2008-09-16 US disclosed
US-20080026407-A1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION 2008-01-31 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
EP-1594962-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORPORATION (US) 2005-11-16 EP disclosed
WO-2004072232-A9 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORP (US) 2004-10-14 WO disclosed
WO-2004072232-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORPORATION (US) 2004-08-26 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 (11 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 HTR6 4312/4885MAPT 4367/4885MMP2 1497/4885
US-20050272114-A1 Substrates for covalent tethering to proteins DDHD2, ABHD14B, AHCYL1 HTR6 4379/4885MAPT 4307/4885MMP2 1797/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 HTR6 4312/4885MAPT 4367/4885MMP2 1497/4885
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 HTR6 2708/4885MAPT 4393/4885MMP2 344/4885
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 HTR6 4426/4885MAPT 4294/4885MMP2 1241/4885
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 HTR6 2708/4885MAPT 4393/4885MMP2 344/4885
US-11028424-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 HTR6 4426/4885MAPT 4294/4885MMP2 1241/4885
US-20080026407-A1 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 HTR6 4426/4885MAPT 4294/4885MMP2 1241/4885
US-10101332-B2 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 HTR6 4312/4885MAPT 4367/4885MMP2 1497/4885
US-20060024808-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 HTR6 4312/4885MAPT 4367/4885MMP2 1497/4885
US-10240184-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 HTR6 4426/4885MAPT 4294/4885MMP2 1241/4885

“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.