Sugi Predict

Sugi Predict / Compounds / SCHEMBL211419

SCHEMBL211419

SCHEMBL211419

CC(C)(C)OC(=O)N1C(=O)CCC1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ FKBP1A P62942 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TOP2A P11388 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ DUT P33316 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GLS O94925 1/20 0.32

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
SCHEMBL625416 1.00 CHRM2 (0.35) CHRM2CHRM1CHRM3FKBP1AALDH1A1
SCHEMBL958204 1.00 CHRM2 (0.35) CHRM2CHRM1CHRM3FKBP1AALDH1A1
SCHEMBL21565343 0.88 ATM (0.34) CHRM2CHRM1CHRM3ALDH1A1ELANE
SCHEMBL24851540 0.88 ATM (0.34) CHRM2CHRM1CHRM3ALDH1A1ELANE
SCHEMBL28526715 0.88 ATM (0.34) CHRM2CHRM1CHRM3ALDH1A1ELANE
SCHEMBL3742158 0.85 DUT (0.34) FKBP1ATOP2ADUT
SCHEMBL211191 0.85 DUT (0.34) FKBP1ATOP2ADUT
SCHEMBL15763087 0.84 CHRM2 (0.34) CHRM2CHRM1CHRM3ALDH1A1ELANE
SCHEMBL15763065 0.84 CHRM2 (0.34) CHRM2CHRM1CHRM3ALDH1A1ELANE
SCHEMBL4501441 0.84 GLA (0.34) CHRM2CHRM1CHRM3FKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829151-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2023-09-29 — — CN disclosed
CN-112437768-A Novel functionalized lactams as 5-hydroxytryptamine receptor 7 modulators and methods of use thereof 英联邦高等教育系统坦普尔大学 2021-03-02 — — CN disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 — — US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 — — EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — US disclosed
US-6114361-A INHIBITORS OF MATRIX METALLOPROTEINASES AND REPROLYSIN; ADMINISTERING TO TREAT CONDITIONS WHICH CAN BE TREATED BY THE INHIBITION OF THESE ENZYMES PFIZER INC. (US) 2000-09-05 — — US disclosed
EP-1004578-A2 5-oxo-pyrrolidine-2-carboxylic acid hydroxamide derivatives Pfizer Products Inc. (US) 2000-05-31 — — EP disclosed
US-5717097-A N-(2(R)-HYDROXY-1(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-(HYDROXY) -5-SUBSTITUTED-N'-(T-BUTYLCARBAMOYL)PIPERAZINYL))PENTANEAMIDE COMPOUNDS MERCK & CO., INC. (US) 1998-02-10 — — US disclosed
US-5668132-A HIV Protease inhibitors useful for the treatment of AIDS MERCK & CO., INC. (US) 1997-09-16 — — US disclosed
US-5527799-A ADMINISTERING MIXTURE OF TWO COMPOUNDS AND OPTIONAL AZT MERCK & CO., INC. (US) 1996-06-18 — — US disclosed
US-5413999-A structure is piperazine containing amides MERCK & CO., INC. (US) 1995-05-09 — — US disclosed
WO-1994022480-A1 HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-10-13 — — WO disclosed
EP-0617968-A1 HIV protease inhibitors in pharmaceutical combinant for the treatment of AIDS MERCK & CO. INC. (US) 1994-10-05 — — EP disclosed
WO-1993009096-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1993-05-13 — — WO disclosed
EP-0541168-A1 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1993-05-12 — — EP 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CHRM2 35/4885CHRM1 63/4885CHRM3 29/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CHRM2 35/4885CHRM1 63/4885CHRM3 29/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CHRM2 35/4885CHRM1 63/4885CHRM3 29/4885

“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.