SCHEMBL3345256

SCHEMBL3345256

C[C@@H](C(N)=O)N(C(=O)Cc1ccccc1)[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.38
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3347326 0.84 HTT (0.36) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3343010 0.83 HTT (0.41) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3342780 0.83 HSD17B10 (0.47) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3343058 0.82 TRPV1 (0.34) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3342757 0.81 MAPT (0.37) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3347303 0.81 HSD17B10 (0.41) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3346138 0.80 HSD17B10 (0.44) HSD17B10USP2THRBHPGDALOX15
SCHEMBL3341599 0.79 KMT2A (0.35) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3346682 0.79 TP53 (0.34) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3343539 0.78 MEN1 (0.34) HSD17B10KDM4EUSP2ESR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP claimed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
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

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 4277/4885USP2 1724/4885
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 2187/4885USP2 3638/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HSD17B10 655/4885KDM4E 4298/4885USP2 1670/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 HSD17B10 917/4885KDM4E 1937/4885USP2 4502/4885

“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.