SCHEMBL3342591

SCHEMBL3342591

O=C(O)N[C@H]1C(=O)Nc2ccccc2S[C@H]1c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.48
ESR1 P03372 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
PTPN7 P35236 1/20 0.48
RECQL P46063 1/20 0.48
ESR2 Q92731 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
GLA P06280 1/20 0.45
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL9802108 0.84 ADORA2B (0.43) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL9802642 0.84 ADORA2B (0.43) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL9802101 0.84 ADORA2B (0.43) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL3342727 0.77 HSD17B10 (0.49) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL3342721 0.77 HSD17B10 (0.49) HSD17B10KDM4ETDP1POLBUSP2
Bromide SCHEMBL3407658 0.76 HSD17B10 (0.47) HSD17B10KDM4ETDP1POLBUSP2
Bromide SCHEMBL9802079 0.76 HSD17B10 (0.47) HSD17B10KDM4ETDP1POLBUSP2
Bromide SCHEMBL9802105 0.76 HSD17B10 (0.47) HSD17B10KDM4ETDP1POLBUSP2
Bromide SCHEMBL9802090 0.76 HSD17B10 (0.47) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL6208872 0.75 HSD17B10 (0.44) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B HSD17B10 512/4885KDM4E 4277/4885TDP1 1601/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 HSD17B10 1589/4885KDM4E 2187/4885TDP1 1730/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HSD17B10 655/4885KDM4E 4298/4885TDP1 1707/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 HSD17B10 917/4885KDM4E 1937/4885TDP1 4578/4885

“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.