Sugi Predict

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SCHEMBL645858

SCHEMBL645858

CC(C)(C)OC(=O)N[C@H]1CNc2ccccc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.62
▸ GAA P10253 1/20 0.48
▸ MAPK10 P53779 1/20 0.47
▸ RIPK1 Q13546 1/20 0.47
▸ IDO1 P14902 1/20 0.45
▸ NAAA Q02083 8/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CCKAR P32238 1/20 0.40
▸ CCKBR P32239 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40

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
SCHEMBL3485516 1.00 EPHX2 (0.62) EPHX2GAAMAPK10RIPK1IDO1
SCHEMBL949512 1.00 EPHX2 (0.62) EPHX2GAAMAPK10RIPK1IDO1
SCHEMBL18419861 0.88 EPHX2 (0.48) EPHX2RIPK1NAAA
SCHEMBL6176701 0.85 EPHX2 (0.51) EPHX2GAARIPK1IDO1NAAA
SCHEMBL15811245 0.85 EPHX2 (0.51) EPHX2GAAMAPK10RIPK1NAAA
SCHEMBL10263516 0.84 EPHX2 (0.50) EPHX2GAAMAPK10IDO1NAAA
SCHEMBL31656028 0.84 EPHX2 (0.47) EPHX2GAARIPK1NAAANFKB1
SCHEMBL30832132 0.84 EPHX2 (0.47) EPHX2GAARIPK1NAAANFKB1
SCHEMBL8210416 0.84 EPHX2 (0.47) EPHX2GAARIPK1IDO1NAAA
SCHEMBL6177311 0.84 EPHX2 (0.47) EPHX2GAARIPK1IDO1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 — — EP disclosed
US-10940154-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-09 — — US disclosed
US-10933070-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-02 — — US disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 — — EP disclosed
EP-3071562-B1 TETRAHYDRO-BENZODIAZEPINONES HOFFMANN LA ROCHE (CH) 2020-10-14 — — EP disclosed
EP-3071562-B1 TETRAHYDRO-BENZODIAZEPINONES HOFFMANN LA ROCHE (CH) 2020-10-14 — — EP disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 — — EP disclosed
WO-2020044206-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS FOR USE IN THE TREATMENT CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 — — WO disclosed
US-20200062735-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-02-27 — — US disclosed
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 — — US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 — — US disclosed
US-6420522-B1 ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2002-07-16 — — US disclosed
US-6258948-B1 AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED 2001-07-10 — — US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 — — US disclosed
US-6103711-A INTERLEUKIN-1 MEDIATED DISEASES; ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS; AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-08-15 — — US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 — — US disclosed
US-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 — — US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 — — EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 — — 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 (5 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-10940154-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 EPHX2 1746/4885GAA 3581/4885MAPK10 90/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN EPHX2 402/4885GAA 271/4885MAPK10 3394/4885
US-20200062735-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS RIPK1, RIPK4, RIPK3 EPHX2 3563/4885GAA 2714/4885MAPK10 338/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 EPHX2 1529/4885GAA 1415/4885MAPK10 2512/4885
US-10933070-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 EPHX2 1746/4885GAA 3581/4885MAPK10 90/4885

“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.