SCHEMBL6479457

SCHEMBL6479457

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
SCHEMBL30520180 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL7327312 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL6479462 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL5020108 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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594101-B1 A process for the preparation of diltiazem PROFARMACO S R L (IT) 1996-12-27 EP claimed
WO-1996007415-A1 MYOCARDIAL PROTECTION USING BENZOTHIAZEPINONES UNIVERSITE DE MONTREAL (CA) 1996-03-14 WO claimed
EP-0430012-B1 Process for preparing 2-Aromatic-3-halobenzothiazepines MARION MERRELL DOW INC (US) 1995-05-10 EP claimed
EP-0594101-A1 A process for the preparation of diltiazem PROFARMACO NOBEL S.r.l. (IT) 1994-04-27 EP 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
US-4983733-A Process for preparing 2-aromatic-3-halobenzothiazepines MARION LABORATORIES, INC. (US) 1991-01-08 US claimed
JP-1128975-A None JP disclosed
JP-6228117-A None JP disclosed
JP-7002810-A None JP disclosed
JP-8253464-A None JP disclosed
US-6881839-B2 Process for preparing diltiazem using a heterogeneous trifunctional catalyst COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-04-19 US disclosed
US-20040127704-A1 Process for preparing diltiazem using a heterogeneous trifunctional catalyst COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-07-01 US disclosed
EP-1025080-B1 PROCESS FOR THE RECYCLE OF A WASTE PRODUCT OF DILTIAZEM SYNTHESIS ZAMBON SPA (IT) 2003-01-08 EP disclosed
US-4743599-A CALCIUM ANTAGONIST, CARDIOVASCULAR DISORDERS SYNTHELABO (FR) 1988-05-10 US disclosed
US-4566995-A Process for the preparation of benzothiazepine derivatives ABIC LTD. (IL) 1986-01-28 US disclosed
EP-0158303-A2 A process for the preparation of benzothiazepin derivatives ABIC LTD. (IL) 1985-10-16 EP disclosed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US disclosed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040127704-A1 Process for preparing diltiazem using a heterogeneous trifunctional catalyst CYP2W1, INMT, TST HSD17B10 1582/4885HPGD 1820/4885KDM4E 1798/4885

“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.