SCHEMBL5020108

SCHEMBL5020108

COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.73
HPGD P15428 3/20 0.73
KDM4E B2RXH2 2/20 0.73
POLB P06746 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
USP2 O75604 1/20 0.73
ESR1 P03372 1/20 0.73
THRB P10828 1/20 0.73
ALOX15 P16050 1/20 0.73
PTPN7 P35236 1/20 0.73
RECQL P46063 1/20 0.73
ESR2 Q92731 1/20 0.73
CTDSP1 Q9GZU7 1/20 0.73
SLC2A1 P11166 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 3/20 0.47
TSHR P16473 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL6479457 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL30520180 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL7327312 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL6479462 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL7348790 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL10964457 0.87 POLB (0.54) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL10339936 0.87 POLB (0.54) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL7324499 0.87 TDP1 (0.54) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL10636932 0.87 POLB (0.54) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL10339937 0.87 POLB (0.54) HSD17B10HPGDKDM4EPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014030106-A2 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE (2R,3S)-3-(4- METHOXYPHENYL)GLYCIDIC ACID METHYL ESTER AND CIS LACTAM AND USES THEREOF UNIMARK REMEDIES LTD. (IN) 2014-02-27 WO claimed
EP-0415384-B1 Heterogeneous synthesis of azepinones from esters HOECHST MARION ROUSSEL INC (US) 1997-03-19 EP claimed
US-5315005-A Purification ZAMBON GROUP S.P.A. (IT) 1994-05-24 US claimed
EP-0325965-B1 A process for the optical resolution of a racemic acid PROFARMACO NOBEL SRL (IT) 1994-04-13 EP claimed
EP-0355395-B1 Process for the preparation of intermediates for the synthesis of diltiazem ZAMBON SPA (IT) 1994-03-30 EP claimed
US-5223612-A Process for the preparation of benzothiazepines by cyclization with phosphonic acids ZAMBON GROUP S.P.A. (IT) 1993-06-29 US claimed
US-5102999-A Oxidation of cis-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one ZAMBON GROUP S.P.A. (IT) 1992-04-07 US claimed
EP-0242265-B1 1,5-BENZOTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SYNTHELABO (FR) 1991-05-29 EP claimed
US-5013835-A Method of preparing (+)-(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)2,3-dihydro-5H-1,5-benzothiazepine-4-one SYNTHELABO (FR) 1991-05-07 US claimed
US-5013834-A Process for the preparation of an optically active benzothiazepinone INDUSTRIA CHIMICA PROFARMACO S. P. A. (IT) 1991-05-07 US claimed
EP-0415384-A2 Heterogeneous synthesis of azepinones from esters HOECHST MARION ROUSSEL, INC. (US) 1991-03-06 EP claimed
US-4937334-A Process for the preparation of intermediates for the synthesis of diltiazem ZAMBON GROUP S.P.A. (IT) 1990-06-26 US claimed
EP-0355395-A1 Process for the preparation of intermediates for the synthesis of diltiazem ZAMBON GROUP S.p.A. (IT) 1990-02-28 EP claimed
EP-0325965-A2 A process for the optical resolution of a racemic acid PROFARMACO NOBEL S.r.l. (IT) 1989-08-02 EP claimed
JP-3048671-A None JP disclosed
JP-2078673-A None JP disclosed
JP-5222016-A None JP disclosed
US-4438035-A Method of preparing benzothiazepine derivatives TANABE SEIYAKU CO., LTD. (JP) 1984-03-20 US disclosed
EP-0081234-A1 Novel method of preparing benzothiazepine derivatives Tanabe Seiyaku Co., Ltd. (JP) 1983-06-15 EP disclosed
JP-H00348671-A 0001-01-01 JP disclosed