SCHEMBL3343392

SCHEMBL3343392

O=C(O)N[C@@H]1C(=O)Nc2cc(Cl)ccc2S[C@H]1c1cc(F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
HTR7 P34969 1/20 0.33
LMNA P02545 1/20 0.33
MDM2 Q00987 1/20 0.33
IDO1 P14902 1/20 0.32
KMT2A Q03164 1/20 0.32
PABPC1 P11940 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3343384 1.00 FPR1 (0.36) FPR1FPR2SMN1; SMN2POLBHTT
SCHEMBL6208869 0.87 HSD17B10 (0.44) SMN1; SMN2POLBHTTTP53MAPT
SCHEMBL6208872 0.87 HSD17B10 (0.44) SMN1; SMN2POLBHTTTP53MAPT
SCHEMBL3346125 0.80 PSEN1 (0.40) HSD17B10
SCHEMBL3342668 0.79 PSEN1 (0.41) HSD17B10
Bromide SCHEMBL3341471 0.79 IDO1 (0.35) SMN1; SMN2POLBTP53MAPTHTR7
SCHEMBL4115842 0.76 PSEN1 (0.33) SMN1; SMN2POLBHTTTP53MAPT
SCHEMBL3347463 0.74 IDO1 (0.43) POLBHTTIDO1HSD17B10TDP1
SCHEMBL4112461 0.74 IDO1 (0.43) POLBHTTIDO1HSD17B10TDP1
SCHEMBL3347461 0.74 IDO1 (0.43) POLBHTTIDO1HSD17B10TDP1

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 FPR1 1627/4885FPR2 2723/4885SMN1; SMN2 563/4885
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 FPR1 1056/4885FPR2 1277/4885SMN1; SMN2 1379/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP FPR1 1945/4885FPR2 2870/4885SMN1; SMN2 592/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 FPR1 1054/4885FPR2 1826/4885SMN1; SMN2 2425/4885

“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.