SCHEMBL684475

SCHEMBL684475

CC(O)[C@H](NC(=O)C(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL684795 1.00 L3MBTL1 (0.35) L3MBTL1GAANPSR1CNR2POLB
SCHEMBL24263338 0.84 L3MBTL1 (0.37) L3MBTL1GAANPSR1CNR2POLB
SCHEMBL22600649 0.84 L3MBTL1 (0.37) L3MBTL1GAANPSR1CNR2POLB
SCHEMBL20021568 0.83 RIPK1 (0.40) POLB
SCHEMBL17373358 0.83 CA2 (0.39) L3MBTL1NPSR1CNR2POLBMAPK1
SCHEMBL28433567 0.83 CA2 (0.39) L3MBTL1NPSR1CNR2POLBMAPK1
SCHEMBL17373361 0.83 CA2 (0.39) L3MBTL1NPSR1CNR2POLBMAPK1
SCHEMBL17432119 0.83 GAA (0.33) L3MBTL1GAANPSR1CNR2POLB
SCHEMBL13543178 0.83 ADAM17 (0.33) ALDH1A1
SCHEMBL19849496 0.81 MME (0.30) L3MBTL1POLBMAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-09-03 US disclosed
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-07-02 US disclosed
US-20190076405-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS EyePoint Pharmaceuticals, Inc. 2019-03-14 US disclosed
US-9949956-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-04-05 US disclosed
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-04-05 US disclosed
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2018-02-08 US disclosed
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2018-02-08 US disclosed
US-20180022741-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-01-25 US disclosed
US-20180022741-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-01-25 US disclosed
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-25 US disclosed
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC. (US) 2014-09-18 US disclosed
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AERPIO THERAPEUTICS INC. (US) 2014-09-04 US disclosed
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2014-08-28 US disclosed
US-20140179693-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME SHALWITZ ROBERT (US) 2014-06-26 US disclosed
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2014-03-06 US disclosed
US-8569348-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2013-10-29 US disclosed
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 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 (15 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 L3MBTL1 3091/4885GAA 2854/4885NPSR1 4414/4885
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 L3MBTL1 1016/4885GAA 2801/4885NPSR1 3550/4885
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 L3MBTL1 1026/4885GAA 2308/4885NPSR1 1187/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 L3MBTL1 1016/4885GAA 2801/4885NPSR1 3550/4885
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 L3MBTL1 1026/4885GAA 2308/4885NPSR1 1187/4885
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 L3MBTL1 3091/4885GAA 2854/4885NPSR1 4414/4885
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR L3MBTL1 4715/4885GAA 2788/4885NPSR1 3353/4885
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 L3MBTL1 1016/4885GAA 2801/4885NPSR1 3550/4885
US-20190076405-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM L3MBTL1 1739/4885GAA 1591/4885NPSR1 2466/4885
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 L3MBTL1 1026/4885GAA 2308/4885NPSR1 1187/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 L3MBTL1 1026/4885GAA 2308/4885NPSR1 1187/4885
US-20140179693-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM L3MBTL1 763/4885GAA 2139/4885NPSR1 2892/4885
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 L3MBTL1 3091/4885GAA 2854/4885NPSR1 4414/4885
US-20180022741-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR L3MBTL1 4715/4885GAA 2788/4885NPSR1 3353/4885
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES PPM1G, PPM1F, PPM1A L3MBTL1 4731/4885GAA 673/4885NPSR1 3866/4885

“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.