SCHEMBL3340585

SCHEMBL3340585

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
ESR1 P03372 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
PTPN7 P35236 1/20 0.43
RECQL P46063 1/20 0.43
ESR2 Q92731 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.32

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
SCHEMBL3343226 0.96 HSD17B10 (0.38) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3345094 0.96 KDM4E (0.39) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3343886 0.94 KDM4E (0.39) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL4122650 0.93 HSD17B10 (0.36) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3344123 0.93 HSD17B10 (0.41) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3343287 0.92 MEN1 (0.41) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3342437 0.92 HSD17B10 (0.40) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3346684 0.91 KDM4E (0.36) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3345112 0.90 KDM4E (0.35) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3344001 0.90 KDM4E (0.35) HSD17B10KDM4EPOLBTDP1USP2

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 14 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
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
JP-2006503862-A 2006-02-02 JP claimed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP claimed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO 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
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 4277/4885POLB 2227/4885
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 2187/4885POLB 4199/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HSD17B10 655/4885KDM4E 4298/4885POLB 2636/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 HSD17B10 917/4885KDM4E 1937/4885POLB 4640/4885

“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.