Sugi Predict

Sugi Predict / Compounds / SCHEMBL3530471

SCHEMBL3530471

SCHEMBL3530471

C#CCN(CC)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 2/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ KCNQ4 P56696 3/20 0.34
▸ KCNQ5 Q9NR82 3/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 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
SCHEMBL1207293 0.90 CA14 (0.39) CA14KCNQ4KCNQ5HDAC6HDAC1
SCHEMBL28733852 0.84 CA14 (0.37) CA14KCNQ4KCNQ5HDAC6HDAC1
SCHEMBL1462540 0.83 CA14 (0.37) CA14DPP4HDAC6HDAC1HDAC2
SCHEMBL6140672 0.83 CA14 (0.42) CA14KCNQ4KCNQ5HDAC6HDAC1
SCHEMBL1143116 0.82 SSTR4 (0.41) CA14KCNQ4KCNQ5HDAC6HDAC1
SCHEMBL1688918 0.82 CA14 (0.35) CA14KCNQ4KCNQ5HDAC6HDAC1
SCHEMBL1896934 0.82 CA14 (0.35) CA14KCNQ4KCNQ5HDAC6HDAC1
SCHEMBL1962792 0.82 MEN1 (0.45) CA14DPP4HDAC6HDAC1HDAC2
SCHEMBL18381058 0.81 DPP4 (0.53) CA14DPP4HDAC6HDAC1HDAC2
SCHEMBL13982487 0.81 CA14 (0.40) CA14KCNQ4KCNQ5HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
WO-2024129763-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
WO-2024129763-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 — — US disclosed
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2021-05-18 — — US disclosed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 — — US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 — — US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 — — US disclosed
EP-1448195-A1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION AstraZeneca AB (SE) 2004-08-25 — — EP disclosed
WO-2003041707-A1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION ASTRAZENECA AB (SE) 2003-05-22 — — WO 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CA14 1741/4885DPP4 1824/4885KCNQ4 4846/4885
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK CA14 2117/4885DPP4 2571/4885KCNQ4 1461/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK CA14 4876/4885DPP4 1472/4885KCNQ4 1817/4885

“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.