SCHEMBL997504

SCHEMBL997504

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCCCCCCl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.67
PRSS1 P07477 1/20 0.67
PRSS2 P07478 1/20 0.67
PRSS3 P35030 1/20 0.67
TPSAB1 Q15661 1/20 0.67
PKM P14618 3/20 0.63
FOLH1 Q04609 4/20 0.61
TDP1 Q9NUW8 5/20 0.58
PLCD1 P51178 1/20 0.56
HSP90AB1 P08238 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CAMK2B Q13554 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 1/20 0.54
ABL1 P00519 1/20 0.54

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
SCHEMBL31654083 0.98 PRSS1 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL26754234 0.98 PRSS1 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.92 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19017236 0.92 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.92 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.92 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17039697 0.90 F2 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20097878 0.89 F2 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8131388 0.89 FOLH1 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL7902281 0.88 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594962-B1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORP (US) 2014-08-27 EP claimed
US-RE42931-E1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2011-11-15 US claimed
US-7238842-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2007-07-03 US claimed
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
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-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 (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-20050272114-A1 Substrates for covalent tethering to proteins DDHD2, ABHD14B, AHCYL1 F2 3915/4885PRSS1 709/4885PRSS2 994/4885
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 F2 2508/4885PRSS1 1284/4885PRSS2 868/4885
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 F2 2907/4885PRSS1 1059/4885PRSS2 1308/4885
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 F2 2508/4885PRSS1 1284/4885PRSS2 868/4885
US-11028424-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 F2 2907/4885PRSS1 1059/4885PRSS2 1308/4885
US-10101332-B2 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 F2 3125/4885PRSS1 624/4885PRSS2 1128/4885
US-20060024808-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 F2 3125/4885PRSS1 624/4885PRSS2 1128/4885
US-10240184-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 F2 2907/4885PRSS1 1059/4885PRSS2 1308/4885

“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.