SCHEMBL898260

SCHEMBL898260

CC(C)(C)c1cc(Br)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.54
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
MYC P01106 1/20 0.46
NR4A1 P22736 1/20 0.46
RBP4 P02753 1/20 0.44
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
SORT1 Q99523 5/20 0.42
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXRB P28702 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ACLY P53396 1/20 0.41

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
SCHEMBL22745699 0.85 KDM4E (0.47) PTGDR2KDM4EGLAMYCNR4A1
SCHEMBL31189232 0.85 KDM4E (0.47) PTGDR2KDM4EGLAMYCNR4A1
SCHEMBL29392896 0.83 PTGDR2 (0.45) PTGDR2KDM4EGLAMYCNR4A1
SCHEMBL19319661 0.80 KDM4E (0.43) PTGDR2KDM4EGLAMYCNR4A1
SCHEMBL257339 0.80 EPRS1 (0.51) KDM4EGLAMYCNR4A1DGAT1
SCHEMBL29451092 0.80 EPRS1 (0.51) KDM4EGLAMYCNR4A1DGAT1
SCHEMBL38809 0.78 ALDH1A1 (0.57) MYCGLRA3GLRBMEN1KMT2A
SCHEMBL4631399 0.78 TDP1 (0.59) KDM4EGLRA3GLRBTDP1RXRB
SCHEMBL1355541 0.78 TDP1 (0.54) KDM4EMYCGLRA3GLRBTDP1
SCHEMBL29654078 0.78 ALDH1A1 (0.57) MYCGLRA3GLRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023112820-A1 PRODUCTION METHOD FOR BORONIC ACID COMPOUND 株式会社altFlow 2023-06-22 WO claimed
EP-2516479-B1 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORP (US) 2016-04-20 EP claimed
EP-2516479-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF Corporation (US) 2012-10-31 EP claimed
US-8211819-B2 Internal and external donor compounds for olefin polymerization catalysts BASF CORPORATION (US) 2012-07-03 US claimed
WO-2011084691-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORPORATION (US) 2011-07-14 WO claimed
US-20110152481-A1 Internal and external donor compounds for olefin polymerization catalysts BASF CATALYSTS LLC (US) 2011-06-23 US claimed
WO-2023112820-A1 PRODUCTION METHOD FOR BORONIC ACID COMPOUND 株式会社altFlow 2023-06-22 WO disclosed
WO-2023112820-A1 PRODUCTION METHOD FOR BORONIC ACID COMPOUND 株式会社altFlow 2023-06-22 WO disclosed
CN-114044905-B Preparation method of end-group functionalized polydimethylsiloxane 复旦大学 2023-01-06 CN disclosed
CN-114044905-A Preparation method of end group functionalized polydimethylsiloxane 复旦大学 2022-02-15 CN disclosed
CN-112888687-A Trifluoromethyl substituted sulfonamide selective BCL-2 inhibitors 正大天晴药业集团股份有限公司 2021-06-01 CN disclosed
US-9784732-B2 Acidic environment-detecting fluorescent probe THE UNIVERSITY OF TOKYO (JP) 2017-10-10 US disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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 (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-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 PTGDR2 515/4885KDM4E 2543/4885GLA 1009/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PTGDR2 1868/4885KDM4E 249/4885GLA 3029/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A PTGDR2 156/4885KDM4E 2845/4885GLA 2163/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A PTGDR2 571/4885KDM4E 2733/4885GLA 2228/4885

“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.