Sugi Predict

Sugi Predict / Compounds / SCHEMBL1662342

SCHEMBL1662342

SCHEMBL1662342

CCOC(=O)CC1(COS(C)(=O)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ APP P05067 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1484479 0.83 TP53 (0.33) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL625985 0.79 CYP1A2 (0.37) KMT2AALDH1A1CYP1A2
SCHEMBL14391226 0.77 NPSR1 (0.37) ALDH1A1CYP1A2NPSR1
SCHEMBL7515086 0.76 GAA (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL323068 0.75 USP2 (0.42) ALDH1A1
SCHEMBL1660371 0.74 GAA (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL799912 0.74 KDM4E (0.37) ALDH1A1
Acetic Acid SCHEMBL2481280 0.74 KDM4E (0.31) ALDH1A1
SCHEMBL18979130 0.73 GAA (0.36) GAAMGAMSIMGAM2KMT2A
SCHEMBL4603085 0.73 GAA (0.43) GAAMGAMSIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 — — CN disclosed
EP-2488028-B1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2020-08-19 — — EP disclosed
CN-104945382-B Substituted piperidines that increase p53 activity and uses thereof 默沙东公司 2020-02-07 — — CN disclosed
US-20180022736-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2018-01-25 — — US disclosed
US-9856239-B1 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2018-01-02 — — US disclosed
US-9809580-B2 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2017-11-07 — — US disclosed
US-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2017-08-17 — — US disclosed
EP-3181557-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-06-21 — — EP disclosed
CN-104945382-A Substituted piperidines that increase p53 activity and uses thereof SCHERING CORP 2015-09-30 — — CN disclosed
CN-102638981-B Substituted piperidines that increase p53 activity and uses thereof SCHERING CORP 2015-07-22 — — CN disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 — — US disclosed
EP-2488028-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF Merck Sharp & Dohme Corp. (US) 2012-08-22 — — EP disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 — — US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 — — US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 — — US disclosed
CN-102638981-A Substituted piperidines that increase p53 activity and uses thereof SCHERING CORP 2012-08-15 — — CN disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 — — WO disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 — — WO disclosed
US-7829716-B2 decyclization of {3-[(E)-2(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one by methylmagnesium halide with following conversion to montelukast Synthon Pharmaceuticals, Inc. (US) 2010-11-09 — — US disclosed
US-20050245568-A1 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2005-11-03 — — 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 (4 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-20050245568-A1 Process for making montelukast and intermediates therefor CYP51A1, GPR17, CYP27A1 GAA 1392/4885MGAM 2233/4885SI 220/4885
US-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF CA7, CYP2C9, CA9 GAA 253/4885MGAM 946/4885SI 29/4885
US-20180022736-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF CA7, CYP2C9, CA9 GAA 253/4885MGAM 946/4885SI 29/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 GAA 3403/4885MGAM 4530/4885SI 2867/4885

“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.