SCHEMBL9954776

SCHEMBL9954776

CCOC(=O)C(=O)c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
PARP1 P09874 1/20 0.49
NPC1 O15118 2/20 0.48
ELANE P08246 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
THRB P10828 1/20 0.45
RAB9A P51151 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
SCHEMBL9863135 0.88 ALDH1A1 (0.56) CES2CES1SMN1; SMN2MAPTALDH1A1
SCHEMBL1339641 0.85 CES2 (0.51) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL29697823 0.85 CES2 (0.51) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL1339638 0.85 CES2 (0.51) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL884596 0.84 CES2 (0.50) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL27397739 0.84 LMNA (0.55) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL2007367 0.83 TDP1 (0.53) SMN1; SMN2TDP1MAPTALDH1A1NPSR1
SCHEMBL641903 0.83 POLB (0.62) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL31237097 0.83 POLB (0.62) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL2529911 0.82 CES2 (0.56) CES2CES1LMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 EP disclosed
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2022-12-08 US disclosed
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 US disclosed
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2020-05-28 US disclosed
CN-111170991-A Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2020-05-19 CN disclosed
CN-106660991-B Antiproliferative compounds and methods of use thereof 细胞基因公司 2020-03-13 CN disclosed
EP-3166937-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2019-09-04 EP disclosed
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-08-09 US disclosed
US-9968596-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2018-05-15 US disclosed
WO-2016007848-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2016-01-14 WO disclosed
CN-103958465-A Phenyl derivative ONO PHARMACEUTICAL CO 2014-07-30 CN disclosed
CN-103702985-A Quinoxalines and aza-quinoxalines as crth2 receptor modulators MERCK SHARP & DOHME 2014-04-02 CN disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
EP-2661428-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2013-11-13 EP disclosed
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 WO disclosed
CN-101448824-A 2,5-disubstituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2009-06-03 CN disclosed
EP-0386940-A1 6-Beta-(alpha-etherified oxymino)-acyl amino penicillins BEECHAM GROUP PLC (GB) 1990-09-12 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 (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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 CES2 3679/4885CES1 2561/4885LMNA 3865/4885
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CES2 1769/4885CES1 2941/4885LMNA 998/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX CES2 1769/4885CES1 2941/4885LMNA 998/4885
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CES2 1769/4885CES1 2941/4885LMNA 998/4885
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CES2 1769/4885CES1 2941/4885LMNA 998/4885

“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.