Sugi Predict

Sugi Predict / Compounds / SCHEMBL183835

SCHEMBL183835

SCHEMBL183835

CC(C)(C)OC(=O)[C@@H]1CCN(N)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.48
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ STS P08842 5/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ CTSK P43235 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL1852285 1.00 HRH3 (0.48) HRH3HPGDRECQLMEN1ALDH1A1
SCHEMBL222318 1.00 HRH3 (0.48) HRH3HPGDRECQLMEN1ALDH1A1
Hydrochloric Acid SCHEMBL34473243 0.98 HRH3 (0.47) HRH3HPGDRECQLMEN1ALDH1A1
Formaldehyde SCHEMBL9013379 0.97 HRH3 (0.46) HRH3HPGDRECQLMEN1ALDH1A1
SCHEMBL1707724 0.90 HRH3 (0.42) HRH3HPGDRECQLMEN1ALDH1A1
SCHEMBL16666240 0.90 HRH3 (0.42) HRH3HPGDRECQLMEN1ALDH1A1
SCHEMBL5007737 0.90 HRH3 (0.42) HRH3HPGDRECQLMEN1ALDH1A1
SCHEMBL374206 0.89 HRH3 (0.54) HRH3HPGDRECQLMEN1ALDH1A1
Hydrochloric Acid SCHEMBL31015156 0.88 HRH3 (0.41) HRH3HPGDRECQLMEN1ALDH1A1
Hydrochloric Acid SCHEMBL28556920 0.88 HRH3 (0.41) HRH3HPGDRECQLMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118851991-A Biphenyl formamide compound and application thereof 暨南大学 2024-10-29 — — CN disclosed
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF YA THERAPEUTICS INC (CN) 2024-06-13 — — US disclosed
US-20240174660-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-05-30 — — US disclosed
CN-115043841-B Preparation and application of heterocyclic compound serving as BTK inhibitor 药雅科技(上海)有限公司 2024-04-09 — — CN disclosed
US-11905281-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2024-02-20 — — US disclosed
CN-114957242-B Preparation and application of pyrido heterocyclic compounds as kinase inhibitors 药雅科技(上海)有限公司 2023-08-22 — — CN disclosed
CN-115160310-B Alternanthene derivatives as CDK2/Topo I inhibitors, preparation method thereof and antitumor application thereof 中国人民解放军北部战区总医院 2023-06-23 — — CN disclosed
CN-114591324-B Pyrazinone derivatives, preparation and application thereof 深圳微芯生物科技股份有限公司 2023-05-05 — — CN disclosed
CN-115043841-A Preparation and application of heterocyclic compound as BTK inhibitor 药雅科技(上海)有限公司 2022-09-13 — — CN disclosed
CN-114957242-A Preparation and application of pyrido-heterocyclic compound as kinase inhibitor 药雅科技(上海)有限公司 2022-08-30 — — CN disclosed
EP-1042280-A2 PRODRUGS OF ASPARTYL PROTEASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2000-10-11 — — EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 — — WO disclosed
EP-0933372-A1 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors Vertex Pharmaceuticals Incorporated (US) 1999-08-04 — — EP disclosed
WO-1999033815-A1 SULPHONAMIDE DERIVATIVES AS PRODRUGS OF ASPARTYL PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-07-08 — — WO disclosed
WO-1999033793-A2 PRODRUGS OF ASPARTYL PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-07-08 — — WO disclosed
WO-1999033792-A2 PRODRUGS OS ASPARTYL PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-07-08 — — WO disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 — — US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 — — US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 — — WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 — — US 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-20240174660-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HRH3 2555/4885HPGD 2130/4885RECQL 225/4885
US-11905281-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS HRH3 2555/4885HPGD 2130/4885RECQL 225/4885
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF BTK, SYK, LYN HRH3 2499/4885HPGD 3246/4885RECQL 1391/4885

“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.