Sugi Predict

Sugi Predict / Compounds / SCHEMBL3345112

SCHEMBL3345112

SCHEMBL3345112

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)Nc2ccccc2S[C@H]1c1ccoc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL3344001 1.00 KDM4E (0.35) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL3345094 0.91 KDM4E (0.39) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL3340585 0.90 HSD17B10 (0.43) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL3343226 0.90 HSD17B10 (0.38) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL3343886 0.88 KDM4E (0.39) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL4122650 0.87 HSD17B10 (0.36) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL3348872 0.87 KDM4E (0.37) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL3346684 0.87 KDM4E (0.36) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL3346460 0.87 KDM4E (0.36) KDM4EHSD17B10TSHRKMT2AMEN1
SCHEMBL3343287 0.86 MEN1 (0.41) KDM4EHSD17B10TSHRKMT2AMEN1

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 4 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

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

For each of this compound's patents that has machine-readable text (3 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 KDM4E 2187/4885HSD17B10 1589/4885TSHR 4423/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP KDM4E 4298/4885HSD17B10 655/4885TSHR 4717/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 KDM4E 1937/4885HSD17B10 917/4885TSHR 3858/4885

“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.