SCHEMBL995937

SCHEMBL995937

O=C(NCCOCCOCCCCCCCl)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.49
TTR P02766 1/20 0.49
KCNH2 Q12809 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMAD3 P84022 1/20 0.47
KMT2A Q03164 1/20 0.47
PRMT1 Q99873 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALB P02768 1/20 0.47
RORC P51449 1/20 0.46
NT5E P21589 1/20 0.43
JAK2 O60674 1/20 0.43
MMP14 P50281 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
SCHEMBL23599906 0.90 FTO (0.51) FTOTTRKCNH2MEN1MAPT
SCHEMBL20723482 0.88 FTO (0.56) FTOTTRKCNH2MEN1MAPT
SCHEMBL31343967 0.88 GSTP1 (0.58) FTOTTRKCNH2MEN1MAPT
SCHEMBL22197942 0.88 FTO (0.53) FTOTTRKCNH2MEN1MAPT
SCHEMBL25138002 0.88 FTO (0.52) FTOTTRKCNH2MEN1MAPT
SCHEMBL24723090 0.86 FTO (0.51) FTOTTRKCNH2MEN1MAPT
SCHEMBL23599828 0.85 FTO (0.50) FTOTTRKCNH2MEN1MAPT
SCHEMBL30112575 0.85 NT5E (0.41) FTOTTRKCNH2MEN1MAPT
SCHEMBL24942496 0.85 NT5E (0.41) FTOTTRKCNH2MEN1MAPT
SCHEMBL29924010 0.84 FTO (0.51) FTOTTRKCNH2MEN1MAPT

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 62 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-20080026407-A1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION 2008-01-31 US disclosed
US-7238842-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2007-07-03 US disclosed
EP-1782071-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORPORATION (US) 2007-05-09 EP 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
US-20040214258-A1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION 2004-10-28 US 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 (10 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-20050272114-A1 Substrates for covalent tethering to proteins DDHD2, ABHD14B, AHCYL1 FTO 2893/4885TTR 4306/4885KCNH2 4721/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 FTO 2876/4885TTR 4528/4885KCNH2 4806/4885
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 FTO 345/4885TTR 3360/4885KCNH2 4724/4885
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 FTO 2948/4885TTR 4212/4885KCNH2 4657/4885
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 FTO 345/4885TTR 3360/4885KCNH2 4724/4885
US-11028424-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 FTO 2948/4885TTR 4212/4885KCNH2 4657/4885
US-20080026407-A1 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 FTO 2948/4885TTR 4212/4885KCNH2 4657/4885
US-10101332-B2 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 FTO 2876/4885TTR 4528/4885KCNH2 4806/4885
US-20060024808-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 FTO 2876/4885TTR 4528/4885KCNH2 4806/4885
US-10240184-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 FTO 2948/4885TTR 4212/4885KCNH2 4657/4885

“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.