SCHEMBL4401348

SCHEMBL4401348

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.59
ALB P02768 2/20 0.58
SLC5A2 P31639 2/20 0.55
ESR1 P03372 1/20 0.55
AVPR2 P30518 1/20 0.51
OXTR P30559 1/20 0.51
AVPR1A P37288 1/20 0.51
HTRA2 O43464 4/20 0.51
HTRA1 Q92743 4/20 0.51
CA9 Q16790 3/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL14524697 1.00 FOLH1 (0.59) FOLH1ALBSLC5A2ESR1AVPR2
SCHEMBL4403238 0.95 ALB (0.58) FOLH1ALBSLC5A2ESR1HTRA2
SCHEMBL4401282 0.94 FOLH1 (0.60) FOLH1ALBSLC5A2ESR1CA9
SCHEMBL15501046 0.93 FOLH1 (0.59) FOLH1ALBSLC5A2ESR1AVPR2
SCHEMBL23291875 0.89 FOLH1 (0.54) FOLH1ALBESR1HTRA2HTRA1
SCHEMBL15501043 0.85 ALB (0.50) FOLH1ALBESR1HTRA2HTRA1
SCHEMBL16295184 0.84 FOLH1 (0.68) FOLH1ALBSLC5A2ESR1HTRA2
SCHEMBL16561810 0.84 FOLH1 (0.62) FOLH1ALBSLC5A2ESR1CA9
SCHEMBL8521611 0.84 FOLH1 (0.49) FOLH1ALBESR1HTRA2HTRA1
SCHEMBL3289756 0.84 FOLH1 (0.62) FOLH1ALBSLC5A2ESR1AVPR2

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 72 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-20080274488-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2008-11-06 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-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

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-20170088877-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 FOLH1 65/4885ALB 3842/4885SLC5A2 4806/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 FOLH1 63/4885ALB 4212/4885SLC5A2 4708/4885
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 81/4885ALB 1166/4885SLC5A2 4678/4885
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 FOLH1 65/4885ALB 3842/4885SLC5A2 4806/4885
US-11028424-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 FOLH1 65/4885ALB 3842/4885SLC5A2 4806/4885
US-20080026407-A1 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 FOLH1 65/4885ALB 3842/4885SLC5A2 4806/4885
US-10240184-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 FOLH1 65/4885ALB 3842/4885SLC5A2 4806/4885

“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.