Sugi Predict

Sugi Predict / Compounds / SCHEMBL3343414

SCHEMBL3343414

SCHEMBL3343414

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 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 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ PSEN1 P49768 8/20 0.37
▸ PSEN2 P49810 8/20 0.37
▸ APH1B Q8WW43 8/20 0.37
▸ NCSTN Q92542 8/20 0.37

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
SCHEMBL4111852 0.96 HSD17B10 (0.38) HSD17B10POLBTDP1KDM4EUSP2
SCHEMBL4110970 0.91 HSD17B10 (0.47) HSD17B10POLBTDP1KDM4EUSP2
SCHEMBL4110984 0.90 PSEN1 (0.41) HSD17B10POLBTDP1KDM4EUSP2
SCHEMBL3343626 0.89 MEN1 (0.37) HSD17B10KDM4EMEN1KMT2APKM
SCHEMBL4117245 0.88 PSEN1 (0.39) HSD17B10MEN1KMT2APKMPSEN1
SCHEMBL3348683 0.88 MEN1 (0.38) HSD17B10MEN1KMT2APKMPSEN1
SCHEMBL3340581 0.86 PSEN1 (0.46) HSD17B10POLBTDP1KDM4EUSP2
SCHEMBL3344119 0.83 PSEN1 (0.46) HSD17B10POLBTDP1KDM4EUSP2
SCHEMBL3342434 0.82 PSEN1 (0.50) HSD17B10POLBTDP1KDM4EUSP2
SCHEMBL3343225 0.82 PSEN1 (0.46) HSD17B10POLBTDP1KDM4EUSP2

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 HSD17B10 1589/4885POLB 4199/4885TDP1 1730/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HSD17B10 655/4885POLB 2636/4885TDP1 1707/4885

“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.