SCHEMBL4403236

SCHEMBL4403236

CC(C)(C)C(=O)Oc1ccc2c(c1)Oc1cc(OC(=O)C(C)(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCCCCC(=O)NCCOCCOCCCCCCCl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.45
▸ ALB P02768 1/20 0.44
▸ KCNH2 Q12809 3/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ ITPR3 Q14573 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ TTR P02766 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NQO1 P15559 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL13881238 0.97 GSTP1 (0.46) GSTP1ALBKCNH2MEN1USP2
SCHEMBL13193883 0.96 GSTP1 (0.43) GSTP1ALBKCNH2MEN1USP2
SCHEMBL4403233 0.95 GSTP1 (0.41) GSTP1ALBKCNH2MEN1USP2
SCHEMBL12964684 0.94 ALB (0.44) GSTP1ALBKCNH2MEN1USP2
SCHEMBL18950720 0.92 GSTP1 (0.38) GSTP1ALBKCNH2MEN1USP2
SCHEMBL9965287 0.89 ALB (0.39) GSTP1ALBKCNH2MEN1USP2
SCHEMBL4437789 0.86 HPGD (0.40) GSTP1MEN1ALDH1A1MAPTHTT
SCHEMBL31343967 0.86 GSTP1 (0.58) GSTP1ALBKCNH2MEN1USP2
SCHEMBL12951612 0.86 GSTP1 (0.42) GSTP1ALBKCNH2MEN1USP2
SCHEMBL12671652 0.86 HDAC6 (0.33) GSTP1ALBMEN1ALDH1A1MAPT

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 50 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-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-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR Promega Corporation (US) 2017-06-14 — — 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-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-20170088877-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-03-30 — — US disclosed
US-20170088877-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-03-30 — — US disclosed
EP-2395358-B1 Covalent tethering of functional groups to proteins PROMEGA CORP (US) 2017-03-29 — — EP 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-7867726-B2 Compositions comprising a dehalogenase substrate and a fluorescent label and methods of use PROMEGA CORPORATION (US) 2011-01-11 — — 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
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
US-7238842-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2007-07-03 — — US disclosed
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2007-04-19 — — 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 (8 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-20170088877-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 GSTP1 524/4885ALB 3842/4885KCNH2 4657/4885
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 GSTP1 867/4885ALB 4212/4885KCNH2 4806/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 GSTP1 867/4885ALB 4212/4885KCNH2 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 GSTP1 417/4885ALB 1166/4885KCNH2 4724/4885
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 GSTP1 524/4885ALB 3842/4885KCNH2 4657/4885
US-11028424-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 GSTP1 524/4885ALB 3842/4885KCNH2 4657/4885
US-20080026407-A1 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 GSTP1 524/4885ALB 3842/4885KCNH2 4657/4885
US-10240184-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 GSTP1 524/4885ALB 3842/4885KCNH2 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.

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