SCHEMBL11170705

SCHEMBL11170705

CCC(S)C1NC(=O)C(C(S)CC)NC1=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL41054 0.83 TSHR (0.40)
SCHEMBL16500668 0.73 KDM4E (0.47) KDM4E
SCHEMBL6466586 0.73 KDM4E (0.47) KDM4E
SCHEMBL17867144 0.68 KDM4E (0.43) KDM4E
SCHEMBL13637393 0.67 KDM4E (0.39) KDM4E
SCHEMBL18751776 0.66 ABCB1 (0.36)
SCHEMBL17867288 0.66 SOAT1 (0.43) KDM4E
SCHEMBL13399582 0.66 ABCB1 (0.36)
SCHEMBL13290575 0.66 ABCB1 (0.36)
SCHEMBL6439632 0.66 ABCB1 (0.36)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3980653-A Process for the production of 3,6-bis-(2-methylmercaptoethyl)-2,5-piperazinedione DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-09-14 US claimed
US-20180194804-A1 SIMPLIFIED AND SCALABLE METHOD FOR SYNTHESIS OF 2,6-BIS(METHIONYL)- 1,4-DIKETOPIPERAZINE EVONIK DEGUSSA GMBH (DE) 2018-07-12 US disclosed
EP-3319946-A1 SIMPLIFIED AND SCALABLE METHOD FOR SYNTHESIS OF 2,6-BIS(METHIONYL)-1,4-DIKETOPIPERAZINE Evonik Degussa GmbH (DE) 2018-05-16 EP disclosed
WO-2017005547-A1 SIMPLIFIED AND SCALABLE METHOD FOR SYNTHESIS OF 2,6-BIS(METHIONYL)-1,4-DIKETOPIPERAZINE EVONIK DEGUSSA GMBH (DE) 2017-01-12 WO disclosed
EP-2348881-B1 PRODUCTION AND USE OF METHIONYL-METHIONINE AS A FEED ADDITIVE FOR FISH AND CRUSTACEANS EVONIK DEGUSSA GMBH (DE) 2013-09-04 EP disclosed
US-4423175-A AND ALKALINE EARTH, ZINC, OR TIN COMPOUND AJINOMOTO COMPANY INCORPORATED (JP) 1983-12-27 US disclosed
US-4384059-A ADDITIONALLY WITH ALKALINE EARTH METAL, ZINC AND ORGANO TIN COMPOUNDS AJINOMOTO COMPANY INCORPORATED (JP) 1983-05-17 US disclosed
US-3980653-A Process for the production of 3,6-bis-(2-methylmercaptoethyl)-2,5-piperazinedione DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-09-14 US disclosed
US-3980653-A Process for the production of 3,6-bis-(2-methylmercaptoethyl)-2,5-piperazinedione DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-09-14 US disclosed
US-3980653-A Process for the production of 3,6-bis-(2-methylmercaptoethyl)-2,5-piperazinedione DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-09-14 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 (1 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-20180194804-A1 SIMPLIFIED AND SCALABLE METHOD FOR SYNTHESIS OF 2,6-BIS(METHIONYL)- 1,4-DIKETOPIPERAZINE METAP2, MTX2, METTL3 KDM4E 666/4885

“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.