Sugi Predict

Sugi Predict / Compounds / SCHEMBL5042807

SCHEMBL5042807

SCHEMBL5042807

C#CC(O)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ TSHR P16473 2/20 0.50
▸ HTT P42858 1/20 0.48
▸ TACR1 P25103 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44

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
SCHEMBL9788365 1.00 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL23416778 0.79 TACR1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL10621350 0.79 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL9870455 0.79 CA1 (0.62) CA1CA2CA7CA9TSHR
SCHEMBL10621344 0.79 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL10493999 0.79 CA1 (0.62) CA1CA2CA7CA9TSHR
SCHEMBL9870444 0.79 CA1 (0.62) CA1CA2CA7CA9TSHR
SCHEMBL93708 0.78 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL93709 0.78 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL4951286 0.78 CA1 (0.66) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12297208-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-13 — — US disclosed
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-06 — — US disclosed
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE C4 THERAPEUTICS, INC. 2024-08-29 — — US disclosed
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-03-14 — — US disclosed
CN-117580592-A Compounds for targeting bruton's tyrosine kinase degradation 渤健马萨诸塞州股份有限公司 2024-02-20 — — CN disclosed
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-02-08 — — US disclosed
CN-114867726-B Small molecule inhibitors of KRAS G12C mutants 默沙东有限责任公司 2023-11-28 — — CN disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 — — US disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 — — US disclosed
EP-4051678-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-09-07 — — EP disclosed
CN-114867726-A Small molecule inhibitors of KRAS G12C mutant 默沙东公司 2022-08-05 — — CN disclosed
WO-2021086833-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-05-06 — — WO disclosed
WO-2021086833-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-05-06 — — WO disclosed
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2021-04-29 — — US disclosed
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2021-04-29 — — US disclosed
US-7371901-B2 Process for the preparation of alkynols DSM IP ASSETS B.V. (NL) 2008-05-13 — — US disclosed
EP-1673327-B1 PROCESS FOR THE PREPARATION OF ALKYNOLS DSM IP ASSETS BV (NL) 2008-01-16 — — EP disclosed
US-20070276150-A1 Process for the Preparation of Alkynols DSM IP ASSETS B.V. (NL) 2007-11-29 — — US disclosed
EP-1673327-A1 PROCESS FOR THE PREPARATION OF ALKYNOLS DSM IP Assets B.V. (NL) 2006-06-28 — — EP disclosed
WO-2005040076-A1 PROCESS FOR THE PREPARATIN OF ALKYNOLS DSM IP ASSETS B.V. (NL) 2005-05-06 — — 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 (8 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-12297208-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS CA1 3086/4885CA2 1127/4885CA7 2706/4885
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CA1 4874/4885CA2 4773/4885CA7 4870/4885
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS CA1 3086/4885CA2 1127/4885CA7 2706/4885
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS CA1 3086/4885CA2 1127/4885CA7 2706/4885
US-20070276150-A1 Process for the Preparation of Alkynols HACL2, CYP2S1, SGMS1 CA1 2622/4885CA2 2959/4885CA7 2939/4885
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS CA1 3070/4885CA2 1008/4885CA7 2552/4885
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS CA1 3086/4885CA2 1127/4885CA7 2706/4885
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS CA1 3070/4885CA2 1008/4885CA7 2552/4885

“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.