SCHEMBL15799615

SCHEMBL15799615

CC(C)(C)OC(=O)N[C@H]1CNc2cc(C#N)ccc2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.45
▸ GAA P10253 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ NAAA Q02083 3/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4D Q6B0I6 3/20 0.37
▸ RIPK1 Q13546 3/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ ABCB1 P08183 1/20 0.35

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
SCHEMBL15799618 1.00 EPHX2 (0.45) EPHX2GAADRD2NAAASIRT2
SCHEMBL15811245 0.84 EPHX2 (0.51) EPHX2GAANAAARIPK1
SCHEMBL15964542 0.82 RIPK1 (0.53) EPHX2GAADRD2SIRT2SIRT1
SCHEMBL645858 0.82 EPHX2 (0.62) EPHX2GAANAAARIPK1
SCHEMBL949512 0.82 EPHX2 (0.62) EPHX2GAANAAARIPK1
SCHEMBL3485516 0.82 EPHX2 (0.62) EPHX2GAANAAARIPK1
SCHEMBL29796852 0.81 GAA (0.40) EPHX2GAADRD2SIRT2SIRT1
SCHEMBL26961667 0.81 GAA (0.40) EPHX2GAADRD2SIRT2SIRT1
SCHEMBL6176701 0.80 EPHX2 (0.51) EPHX2GAANAAARIPK1
SCHEMBL4988872 0.80 EPHX2 (0.47) EPHX2GAANAAA

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
EP-2931719-B1 DIMERIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-01-25 — — EP disclosed
EP-2931719-B1 DIMERIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-01-25 — — EP disclosed
US-9409888-B2 Dimeric compounds HOFFMANN-LA ROCHE INC. (US) 2016-08-09 — — US disclosed
US-9409888-B2 Dimeric compounds HOFFMANN-LA ROCHE INC. (US) 2016-08-09 — — US disclosed
US-9409888-B2 Dimeric compounds HOFFMANN-LA ROCHE INC. (US) 2016-08-09 — — US disclosed
US-20160024055-A1 DIMERIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2016-01-28 — — US disclosed
US-20160024055-A1 DIMERIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2016-01-28 — — US disclosed
US-20160024055-A1 DIMERIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2016-01-28 — — US disclosed
EP-2931719-A1 DIMERIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-21 — — EP disclosed
WO-2014090709-A1 DIMERIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-19 — — 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 (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-20160024055-A1 DIMERIC COMPOUNDS ZYX, TP53, ZFX EPHX2 1294/4885GAA 1093/4885DRD2 2238/4885

“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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