SCHEMBL684802

SCHEMBL684802

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAPT P10636 2/20 0.43
CPA1 P15085 2/20 0.42
CPA3 P15088 2/20 0.42
FOLH1 Q04609 2/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42

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
SCHEMBL20021560 0.88 MTNR1A (0.57) CYP1A2PPARGMTNR1AMTNR1BMAPT
SCHEMBL8825845 0.87 POLB (0.50) POLBCYP1A2SMN1; SMN2PPARGALDH1A1
SCHEMBL19483359 0.79 CYP1A2 (0.55) CYP1A2NPC1RAB9AMAPTCPA1
SCHEMBL1709341 0.79 CYP1A2 (0.60) CYP1A2PPARGMAPTCPA1CPA3
SCHEMBL19483390 0.79 CYP1A2 (0.55) CYP1A2NPC1RAB9AMAPTCPA1
SCHEMBL683352 0.75 NPSR1 (0.55) POLBNPC1RAB9AMAPTMME
SCHEMBL684246 0.75 NPSR1 (0.55) POLBNPC1RAB9AMAPTMME
Hydrochloric Acid SCHEMBL4881121 0.74 POLB (0.49) POLBCYP1A2SMN1; SMN2ALDH1A1NPC1
SCHEMBL8462971 0.73 MDM2 (0.55) POLBCYP1A2NPC1RAB9AMAPT
SCHEMBL1516186 0.73 RIPK1 (0.71) POLBCYP1A2SMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2022-07-07 US disclosed
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-20190076405-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS EyePoint Pharmaceuticals, Inc. 2019-03-14 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-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-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2014-12-25 US disclosed
US-8883832-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2014-11-11 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, 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 POLB 1846/4885CYP1A2 4824/4885SMN1; SMN2 4549/4885
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 POLB 2724/4885CYP1A2 3978/4885SMN1; SMN2 3113/4885
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 POLB 3185/4885CYP1A2 4581/4885SMN1; SMN2 2103/4885
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 POLB 4242/4885CYP1A2 4546/4885SMN1; SMN2 4631/4885
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 POLB 1846/4885CYP1A2 4824/4885SMN1; SMN2 4549/4885
US-10220048-B2 Compositions and methods for treating ocular diseases VEGFA, FLT4, AQP3 POLB 2865/4885CYP1A2 4763/4885SMN1; SMN2 4723/4885
US-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM POLB 2776/4885CYP1A2 4700/4885SMN1; SMN2 1811/4885
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR POLB 2429/4885CYP1A2 4131/4885SMN1; SMN2 3732/4885
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal TIE1, TEK, TGFB2 POLB 4242/4885CYP1A2 4546/4885SMN1; SMN2 4631/4885
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 POLB 2724/4885CYP1A2 3978/4885SMN1; SMN2 3113/4885
US-20190076405-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM POLB 2164/4885CYP1A2 3083/4885SMN1; SMN2 2100/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 POLB 3185/4885CYP1A2 4581/4885SMN1; SMN2 2103/4885
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 POLB 4242/4885CYP1A2 4546/4885SMN1; SMN2 4631/4885
US-20140179693-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM POLB 2776/4885CYP1A2 4700/4885SMN1; SMN2 1811/4885
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 POLB 1846/4885CYP1A2 4824/4885SMN1; SMN2 4549/4885
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR POLB 2429/4885CYP1A2 4131/4885SMN1; SMN2 3732/4885
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES PPM1G, PPM1F, PPM1A POLB 1897/4885CYP1A2 4820/4885SMN1; SMN2 4860/4885

“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.