SCHEMBL4403238

SCHEMBL4403238

O=C(CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)NCCOCCOCCCCCCCl

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.58
HTRA2 O43464 8/20 0.56
HTRA1 Q92743 8/20 0.56
FOLH1 Q04609 2/20 0.54
ESR1 P03372 1/20 0.51
SLC5A2 P31639 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
SCHEMBL4401348 0.95 FOLH1 (0.59) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL14524697 0.95 FOLH1 (0.59) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL23291875 0.94 FOLH1 (0.54) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL15501043 0.90 ALB (0.50) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL4401282 0.89 FOLH1 (0.60) ALBFOLH1ESR1SLC5A2
SCHEMBL15501046 0.88 FOLH1 (0.59) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL9965269 0.85 FOLH1 (0.52) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL12675193 0.85 ALB (0.58) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL12040501 0.84 ALB (0.57) ALBHTRA2HTRA1FOLH1
SCHEMBL25673963 0.83 ALB (0.60) ALBHTRA2HTRA1FOLH1ESR1

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 70 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
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
US-9540402-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2017-01-10 US disclosed
US-9540402-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2017-01-10 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-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-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-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 ALB 3842/4885HTRA2 3649/4885HTRA1 2545/4885
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 ALB 4212/4885HTRA2 3370/4885HTRA1 2119/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 ALB 4212/4885HTRA2 3370/4885HTRA1 2119/4885
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 ALB 1166/4885HTRA2 4051/4885HTRA1 2574/4885
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 ALB 3842/4885HTRA2 3649/4885HTRA1 2545/4885
US-11028424-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 ALB 3842/4885HTRA2 3649/4885HTRA1 2545/4885
US-20080026407-A1 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 ALB 3842/4885HTRA2 3649/4885HTRA1 2545/4885
US-10240184-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 ALB 3842/4885HTRA2 3649/4885HTRA1 2545/4885

“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.