SCHEMBL20137242

SCHEMBL20137242

COC(=O)[C@@H]1C[C@H](OCCOCCOCCOCCOCc2ccccc2)CN1C(=O)C(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.39
▸ AGTR2 P50052 3/20 0.37
▸ XIAP P98170 6/20 0.36
▸ BIRC3 Q13489 5/20 0.36
▸ BIRC2 Q13490 5/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ CASP2 P42575 1/20 0.34
▸ CASP4 P49662 1/20 0.34
▸ CASP5 P51878 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP9 P55211 1/20 0.34
▸ CASP8 Q14790 1/20 0.34
▸ CASP10 Q92851 1/20 0.34

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
SCHEMBL20137241 1.00 ELANE (0.39) ELANEAGTR2XIAPBIRC3BIRC2
SCHEMBL20151699 1.00 ELANE (0.39) ELANEAGTR2XIAPBIRC3BIRC2
SCHEMBL20137203 0.94 AGTR2 (0.40) ELANEAGTR2XIAPBIRC3BIRC2
SCHEMBL20152040 0.94 AGTR2 (0.40) ELANEAGTR2XIAPBIRC3BIRC2
SCHEMBL20137204 0.94 AGTR2 (0.40) ELANEAGTR2XIAPBIRC3BIRC2
SCHEMBL20137192 0.94 AGTR2 (0.40) ELANEAGTR2XIAPBIRC3BIRC2
SCHEMBL20137190 0.94 AGTR2 (0.40) ELANEAGTR2XIAPBIRC3BIRC2
SCHEMBL20151666 0.87 ABCB1 (0.35) ELANEAGTR2XIAPBIRC3BIRC2
SCHEMBL20148215 0.85 XIAP (0.56) XIAPBIRC3BIRC2
SCHEMBL12442625 0.82 MMP2 (0.40) ELANEXIAPBIRC3BIRC2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286169-B1 PROTAC COMPOUNDS MODULATING RIP2 KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 — — EP disclosed
US-10435391-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-08 — — US disclosed
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 — — 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 (2 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-10435391-B2 Compounds RIPK2, RIPK1, RIPK4 ELANE 1482/4885AGTR2 3075/4885XIAP 10/4885
US-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 ELANE 1327/4885AGTR2 2972/4885XIAP 14/4885

“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.

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