SCHEMBL683352

SCHEMBL683352

CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
MME P08473 2/20 0.54
ACE P12821 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
SCN9A Q15858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSS P25774 3/20 0.45
CTSL P07711 2/20 0.45
CTSK P43235 2/20 0.45
CTSB P07858 1/20 0.45
MAPT P10636 1/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
PAM P19021 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL684246 1.00 NPSR1 (0.55) NPSR1MMEACEACE2NPC1
SCHEMBL22427640 0.89 L3MBTL1 (0.50) NPSR1MMEACEACE2NPC1
SCHEMBL244885 0.89 NPSR1 (0.69) NPSR1MMEACEACE2L3MBTL1
SCHEMBL12863002 0.89 NPSR1 (0.69) NPSR1MMEACEACE2L3MBTL1
SCHEMBL17468460 0.89 NPSR1 (0.69) NPSR1MMEACEACE2L3MBTL1
SCHEMBL1627622 0.87 CTSS (0.58) NPSR1NPC1RAB9ASCN9ACTSS
SCHEMBL12862963 0.86 NPSR1 (0.54) NPSR1MMEACEACE2
SCHEMBL8827969 0.84 NPSR1 (0.52) NPSR1MMEACEACE2NPC1
SCHEMBL22178675 0.84 ALDH1A1 (0.51) MMEACEACE2NPC1RAB9A
SCHEMBL20021566 0.84 ALDH1A1 (0.51) MMEACEACE2NPC1RAB9A

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-11253502-B2 Tie-2 activators targeting the Schlemm's canal EyePoint Pharmaceuticals, Inc. (US) 2022-02-22 US disclosed
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2020-11-19 US disclosed
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2020-10-29 US disclosed
US-10220048-B2 Compositions and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2019-03-05 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-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-20180016245-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2018-01-18 US disclosed
US-20180016245-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2018-01-18 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 (17 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 NPSR1 4414/4885MME 878/4885ACE 1402/4885
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 NPSR1 3550/4885MME 2103/4885ACE 2035/4885
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 NPSR1 1187/4885MME 1010/4885ACE 664/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 NPSR1 3550/4885MME 2103/4885ACE 2035/4885
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 NPSR1 4414/4885MME 878/4885ACE 1402/4885
US-10220048-B2 Compositions and methods for treating ocular diseases VEGFA, FLT4, AQP3 NPSR1 4138/4885MME 1280/4885ACE 1200/4885
US-20180016245-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 NPSR1 1187/4885MME 1010/4885ACE 664/4885
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR NPSR1 3353/4885MME 1654/4885ACE 1795/4885
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal TIE1, TEK, TGFB2 NPSR1 2856/4885MME 830/4885ACE 856/4885
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 NPSR1 3550/4885MME 2103/4885ACE 2035/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 NPSR1 1187/4885MME 1010/4885ACE 664/4885
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 NPSR1 2856/4885MME 830/4885ACE 856/4885
US-20140179693-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM NPSR1 2892/4885MME 993/4885ACE 826/4885
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 NPSR1 4414/4885MME 878/4885ACE 1402/4885
US-20180022741-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR NPSR1 3353/4885MME 1654/4885ACE 1795/4885
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR NPSR1 3353/4885MME 1654/4885ACE 1795/4885
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES PPM1G, PPM1F, PPM1A NPSR1 3866/4885MME 1268/4885ACE 864/4885

“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.