SCHEMBL3498293

SCHEMBL3498293

CC(C)(C)OC(=O)CCCCC(NC(=O)CNC=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ ATM Q13315 2/20 0.35
▸ POLB P06746 3/20 0.35
▸ CTSK P43235 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NOD1 Q9Y239 2/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ GAA P10253 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
SCHEMBL3497199 0.83 CYP2D6 (0.38) TDP1POLBCTSKNPSR1HDAC8
SCHEMBL3498292 0.82 TDP1 (0.40) TDP1KMT2AATMPOLBCTSK
SCHEMBL20450608 0.79 SLC6A5 (0.47) KMT2APOLBHDAC8NOD1SLC6A5
SCHEMBL20450607 0.79 SLC6A5 (0.47) KMT2APOLBHDAC8NOD1SLC6A5
SCHEMBL24799136 0.77 POLB (0.57) TDP1KMT2AATMPOLBCTSK
SCHEMBL21668640 0.77 POLB (0.57) TDP1KMT2AATMPOLBCTSK
SCHEMBL26288436 0.76 KMT2A (0.52) KMT2APOLBCTSKMEN1L3MBTL1
SCHEMBL1820405 0.76 CTSK (0.52) TDP1KMT2AATMPOLBCTSK
SCHEMBL24817622 0.75 KMT2A (0.51) KMT2APOLBL3MBTL1HDAC8NOD1
SCHEMBL23080905 0.75 KMT2A (0.55) KMT2APOLBL3MBTL1HDAC8NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US claimed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 — — EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 — — US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 — — EP 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA TDP1 4280/4885KMT2A 1435/4885ATM 1877/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TDP1 4250/4885KMT2A 1951/4885ATM 1205/4885

“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.

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