SCHEMBL2117385

SCHEMBL2117385

O=C1Nc2ccccc2SC(c2ccccc2)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 1.00
KDM4E B2RXH2 3/20 1.00
TDP1 Q9NUW8 3/20 1.00
POLB P06746 2/20 1.00
USP2 O75604 1/20 1.00
ESR1 P03372 1/20 1.00
THRB P10828 1/20 1.00
HPGD P15428 1/20 1.00
ALOX15 P16050 1/20 1.00
PTPN7 P35236 1/20 1.00
RECQL P46063 1/20 1.00
ESR2 Q92731 1/20 1.00
CTDSP1 Q9GZU7 1/20 1.00
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.45
CA2 P00918 1/20 0.44
KMT2A Q03164 3/20 0.43

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
SCHEMBL8477662 1.00 HSD17B10 (1.00) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL8477667 1.00 HSD17B10 (1.00) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL30923529 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL11021033 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL11021035 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL10897219 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL30923527 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL30923534 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL9726349 0.85 HSD17B10 (0.73) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL9206274 0.85 HSD17B10 (0.73) HSD17B10KDM4ETDP1POLBUSP2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US claimed
EP-0826678-A1 Process for preparing optically active benzothiazepine compound, and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1998-03-04 EP claimed
US-5310904-A Intermediate TANABE SEIYAKU CO., LTD. (JP) 1994-05-10 US claimed
EP-0551076-A1 Process for preparing optically active benzothiazepine compounds by asymmetric reduction TANABE SEIYAKU CO., LTD. (JP) 1993-07-14 EP claimed
JP-8000277-A None JP disclosed
JP-5244992-A None JP disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-5945533-A Process for preparing optically active benzothiazepine compound and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1999-08-31 US disclosed
US-5945533-A Process for preparing optically active benzothiazepine compound and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1999-08-31 US disclosed
EP-0826678-A1 Process for preparing optically active benzothiazepine compound, and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1998-03-04 EP disclosed
EP-0826678-A1 Process for preparing optically active benzothiazepine compound, and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1998-03-04 EP disclosed
CN-1174837-A Process for preparing optically active benzothiazepine compound, and intermediate therefor TANABE SEIYAKU CO (JP) 1998-03-04 CN disclosed
JP-H08277-A PRODUCTION OF OPTICALLY ACTIVE BENZOTHIAZEPIN COMPOUND BY ENZYMATIC REACTION TANABE SEIYAKU CO LTD 1996-01-09 JP disclosed
US-5310904-A Intermediate TANABE SEIYAKU CO., LTD. (JP) 1994-05-10 US disclosed
JP-H05244992-A PRODUCTION OF OPTICALLY ACTIVE BENZOTHIAZEPINES BY ENZYMIC REACTION TANABE SEIYAKU CO LTD 1993-09-24 JP disclosed
EP-0551076-A1 Process for preparing optically active benzothiazepine compounds by asymmetric reduction TANABE SEIYAKU CO., LTD. (JP) 1993-07-14 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 (2 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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM HSD17B10 1707/4885KDM4E 3465/4885TDP1 1293/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM HSD17B10 1707/4885KDM4E 3465/4885TDP1 1293/4885

“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.