SCHEMBL3344124

SCHEMBL3344124

O=C(Cc1cc(F)cc(F)c1)NC(=O)[C@@H](CO)N[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 4/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN7 P35236 1/20 0.32
RECQL P46063 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
SCHEMBL4279507 1.00 HTT (0.36) HTTKMT2AMEN1PKMHSD17B10
SCHEMBL3348683 0.90 MEN1 (0.38) HTTKMT2AMEN1PKMHSD17B10
SCHEMBL3346535 0.89 PSEN1 (0.36) HTTKMT2AMEN1PKMHSD17B10
SCHEMBL3346546 0.89 PSEN1 (0.36) HTTKMT2AMEN1PKMHSD17B10
SCHEMBL3344121 0.89 PSEN1 (0.36) HTTKMT2AMEN1PKMHSD17B10
SCHEMBL3343168 0.89 PSEN1 (0.36) HTTKMT2AMEN1PKMHSD17B10
SCHEMBL3346961 0.89 PSEN1 (0.36) HTTKMT2AMEN1PKMHSD17B10
SCHEMBL5227934 0.89 PSEN1 (0.36) HTTKMT2AMEN1PKMHSD17B10
SCHEMBL3344874 0.82 PSEN1 (0.46) HTTKMT2AMEN1PKM
SCHEMBL3348681 0.82 PSEN1 (0.46) HTTKMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 HTT 243/4885KMT2A 2922/4885MEN1 4378/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HTT 1651/4885KMT2A 4483/4885MEN1 2194/4885

“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.