Sugi Predict

Sugi Predict / Compounds / SCHEMBL6979603

SCHEMBL6979603

SCHEMBL6979603

C#C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.49
▸ BRD4 O60885 1/20 0.38
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD11B2 P80365 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ CTSK P43235 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL1833725 1.00 SPHK1 (0.49) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL1833726 1.00 SPHK1 (0.49) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL25148798 0.84 SPHK1 (0.48) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL11956429 0.84 SPHK1 (0.48) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL9752336 0.83 SPHK1 (0.51) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL10223487 0.83 SPHK1 (0.47) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL10272352 0.81 SPHK1 (0.54) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL14314018 0.81 SPHK1 (0.54) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL10272353 0.81 SPHK1 (0.54) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL11968694 0.80 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025264954-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-12-26 — — WO disclosed
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
CN-119101045-A Nitrogen-containing heterocyclic compounds, and preparation method and application thereof 上海宇道生物技术有限公司 2024-12-10 — — CN disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 — — US disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 — — US disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 — — WO disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 — — WO disclosed
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 — — EP disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 — — EP disclosed
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 — — US disclosed
US-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-03-21 — — US disclosed
WO-2013018929-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-07 — — WO disclosed
CN-1138773-C 4-alkenyl (and alkynyl) oxindoles as inhibitors of cell cycle protein dependent kinases, in particular CDK2 - 2004-02-18 — — CN disclosed
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 — — EP disclosed
CN-1330647-A 4-alkenyl (and alkynyl) oxindoles as inhibitors of cell cycle protein dependent kinases, in particular CDK2 HOFFMANN LA ROCHE (CH) 2002-01-09 — — CN disclosed
EP-1157019-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 — — EP disclosed
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 — — US disclosed
US-6252086-B1 CYCLIN-DEPENDENT KINASES INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-06-26 — — US disclosed
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 — — US disclosed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — 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 (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-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ESRRA, ESRRB, ESR2 SPHK1 4169/4885BRD4 464/4885CHRM2 2022/4885
US-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF SPHK1 294/4885BRD4 2391/4885CHRM2 1215/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK SPHK1 489/4885BRD4 469/4885CHRM2 4856/4885

“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.