SCHEMBL2106791

SCHEMBL2106791

CSCCC(NC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
FOLH1 Q04609 2/20 0.41
CA2 P00918 2/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14383421 1.00 RNPEP (0.47) RNPEPLMNAUSP2TSHRALDH1A1
SCHEMBL2106793 1.00 RNPEP (0.47) RNPEPLMNAUSP2TSHRALDH1A1
Hydrochloric Acid SCHEMBL8602262 0.98 RNPEP (0.46) RNPEPLMNAUSP2TSHRALDH1A1
Hydrochloric Acid SCHEMBL8602261 0.98 RNPEP (0.46) RNPEPLMNAUSP2TSHRALDH1A1
Acrylic Acid SCHEMBL1878744 0.90 ALDH1A1 (0.41) RNPEPLMNAUSP2TSHRALDH1A1
SCHEMBL8760503 0.85 LMNA (0.44) RNPEPLMNAUSP2TSHRALDH1A1
SCHEMBL8760496 0.85 LMNA (0.44) RNPEPLMNAUSP2TSHRALDH1A1
SCHEMBL23065777 0.83 CTSS (0.38) RNPEPLMNAUSP2TSHRALDH1A1
SCHEMBL4430147 0.83 RNPEP (0.46) RNPEPLMNAUSP2TSHRALDH1A1
SCHEMBL4430146 0.83 RNPEP (0.46) RNPEPLMNAUSP2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220183291-A1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNITY IN PLANTS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. 2022-06-16 US disclosed
EP-2091934-B1 KETOMETHIONINE KETALS AND THEIR DERIVATIVES EVONIK DEGUSSA GMBH (DE) 2013-04-24 EP disclosed
EP-2222654-B1 2-METHYLTHIOETHYL-SUBSTITUTED HEYRROCYCLES AS FEED ADDITIVES EVONIK DEGUSSA GMBH (DE) 2013-03-20 EP disclosed
US-8158186-B2 2-methylthioethyl-substituted heterocycles as feed additives EVONIK DEGUSSA GMBH (DE) 2012-04-17 US disclosed
US-7815950-B2 Ketomethionine ketals and derivatives thereof EVONIK DEGUSSA GMBH (DE) 2010-10-19 US disclosed
EP-2222654-A1 2-METHYLTHIOETHYL-SUBSTITUTED HEYRROCYCLES AS FEED ADDITIVES Evonik Degussa GmbH (DE) 2010-09-01 EP disclosed
EP-2091934-A1 KETOMETHIONINE KETALS AND THEIR DERIVATIVES Evonik Degussa GmbH (DE) 2009-08-26 EP disclosed
WO-2009080446-A1 2-METHYLTHIOETHYL-SUBSTITUTED HEYRROCYCLES AS FEED ADDITIVES EVONIK DEGUSSA GMBH (DE) 2009-07-02 WO disclosed
US-20090162474-A1 2-METHYLTHIOETHYL-SUBSTITUTED HETEROCYCLES AS FEED ADDITIVES EVONIK DEGUSSA GMBH (DE) 2009-06-25 US disclosed
WO-2008061871-A1 KETOMETHIONINE KETALS AND THEIR DERIVATIVES EVONIK DEGUSSA GMBH (DE) 2008-05-29 WO disclosed
US-20080124426-A1 KETOMETHIONINE KETALS AND DERIVATIVES THEREOF EVONIK DEGUSSA GMBH (DE) 2008-05-29 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 (3 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-20220183291-A1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNITY IN PLANTS IFNG, STING1, IRF3 RNPEP 2328/4885LMNA 3932/4885USP2 1113/4885
US-20090162474-A1 2-METHYLTHIOETHYL-SUBSTITUTED HETEROCYCLES AS FEED ADDITIVES CCNL2, AKR7A2, AGXT RNPEP 1813/4885LMNA 2349/4885USP2 3529/4885
US-20080124426-A1 KETOMETHIONINE KETALS AND DERIVATIVES THEREOF KHK, BHMT2, TKT RNPEP 3604/4885LMNA 3697/4885USP2 3248/4885

“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.