Sugi Predict

Sugi Predict / Compounds / SCHEMBL531694

SCHEMBL531694

SCHEMBL531694

CC1(C)OC(=O)NC1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CTSG P08311 1/20 0.37
▸ PRTN3 P24158 1/20 0.37
▸ PLA2G10 O15496 1/20 0.37
▸ PLA2G5 P39877 1/20 0.37
▸ EP300 Q09472 1/20 0.36

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
SCHEMBL531693 1.00 LMNA (0.42) LMNADDB1CRBNNPSR1TSHR
SCHEMBL2369273 1.00 LMNA (0.42) LMNADDB1CRBNNPSR1TSHR
SCHEMBL8926068 0.80 CA2 (0.37) LMNADDB1CRBNNPSR1TSHR
SCHEMBL31403360 0.79 HDAC8 (0.36) DDB1CRBNTSHRHTTHDAC8
SCHEMBL5872462 0.79 HDAC8 (0.36) DDB1CRBNTSHRHTTHDAC8
SCHEMBL5872468 0.79 HDAC8 (0.36) DDB1CRBNTSHRHTTHDAC8
SCHEMBL13949518 0.78 LMNA (0.38) LMNADDB1CRBNNPSR1TP53
SCHEMBL11365386 0.74 GBA1 (0.41) LMNADDB1CRBNTSHRHTT
SCHEMBL2366727 0.74 CA2 (0.42) LMNACA2
SCHEMBL1443388 0.74 CA2 (0.42) LMNACA2

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
US-5801249-A Chiral auxiliaries OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 1998-09-01 — — US claimed
WO-1995018112-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1995-07-06 — — WO claimed
CN-118771394-A Preparation method of high-purity silica aerogel and obtained silica aerogel 黄山佳杰新材料科技有限公司 2024-10-15 — — CN disclosed
CN-112204018-B Acrylic compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-08-29 — — CN disclosed
CN-112204018-A Acrylic acid compounds, preparation method thereof, pharmaceutical composition and application 中国科学院上海药物研究所 2021-01-08 — — CN disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 — — US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 — — US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 — — US disclosed
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 — — WO disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 — — EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 — — EP disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 — — US disclosed
US-20070149776-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 — — US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 — — EP disclosed
EP-1756049-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2007-02-28 — — EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 — — US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 — — WO disclosed
WO-2005113496-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (US) 2005-12-01 — — WO disclosed
US-5801249-A Chiral auxiliaries OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 1998-09-01 — — US disclosed
WO-1995018112-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1995-07-06 — — 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 (5 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP LMNA 449/4885DDB1 1074/4885CRBN 1600/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP LMNA 449/4885DDB1 1074/4885CRBN 1600/4885
US-20070149776-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES CYP46A1, CYP51A1, APOB LMNA 760/4885DDB1 963/4885CRBN 950/4885
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines IL2, IFNG, IRF3 LMNA 3850/4885DDB1 1439/4885CRBN 671/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP LMNA 449/4885DDB1 1074/4885CRBN 1600/4885

“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.