SCHEMBL3343058

SCHEMBL3343058

C[C@@H](C(N)=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)Nc2cc(Cl)ccc2S[C@@H]1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
PTPN7 P35236 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MDM2 Q00987 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30

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 0.91 HTT (0.36) TRPV1TDP1KDM4EUSP2ESR1
SCHEMBL3343010 0.90 HTT (0.41) TRPV1TDP1KDM4EUSP2ESR1
SCHEMBL3342672 0.88 TRPV1 (0.32) TRPV1HTT
SCHEMBL3342757 0.85 MAPT (0.37) TDP1KDM4EUSP2ESR1POLB
SCHEMBL3346656 0.84 PSEN1 (0.36) POLBTRPM8
SCHEMBL3343681 0.83 HSD17B10 (0.39) TRPV1USP2POLBALOX15HSD17B10
SCHEMBL3341599 0.83 KMT2A (0.35) TDP1KDM4EUSP2ESR1POLB
SCHEMBL3345256 0.82 HSD17B10 (0.47) TDP1KDM4EUSP2ESR1POLB
SCHEMBL3343539 0.80 MEN1 (0.34) TDP1KDM4EUSP2ESR1POLB
SCHEMBL5644377 0.80 MEN1 (0.34) TDP1KDM4EUSP2ESR1POLB

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 13 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
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

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 TRPV1 4465/4885TDP1 1601/4885KDM4E 4277/4885
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 TRPV1 479/4885TDP1 1730/4885KDM4E 2187/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TRPV1 4409/4885TDP1 1707/4885KDM4E 4298/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TRPV1 432/4885TDP1 4578/4885KDM4E 1937/4885

“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.