SCHEMBL8752178

SCHEMBL8752178

COc1cccc([C@@H](N)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
AOC3 Q16853 2/20 0.50
PARP1 P09874 1/20 0.50
PTGS1 P23219 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TRPM8 Q7Z2W7 2/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL31592687 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PARP1
SCHEMBL6121064 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PARP1
SCHEMBL31505889 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PARP1
SCHEMBL9457197 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PARP1
SCHEMBL29913554 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PARP1
Hydrochloric Acid SCHEMBL28851336 0.98 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BAOC3PARP1
SCHEMBL21194008 0.91 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1BAOC3PARP1
SCHEMBL6120583 0.86 ATM (0.48) L3MBTL1MTNR1AMTNR1BAOC3TDP1
SCHEMBL6390839 0.86 L3MBTL1 (0.60) L3MBTL1MTNR1AMTNR1BAOC3PARP1
SCHEMBL14032279 0.85 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BAOC3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117480161-A Novel 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives as sigma ligands 塔拉森调理公司 2024-01-30 CN disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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 (10 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR L3MBTL1 3251/4885MTNR1A 4239/4885MTNR1B 3697/4885
US-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 L3MBTL1 2200/4885MTNR1A 4528/4885MTNR1B 4573/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR L3MBTL1 3251/4885MTNR1A 4239/4885MTNR1B 3697/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR L3MBTL1 3251/4885MTNR1A 4239/4885MTNR1B 3697/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C L3MBTL1 3771/4885MTNR1A 1059/4885MTNR1B 846/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR L3MBTL1 3251/4885MTNR1A 4239/4885MTNR1B 3697/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A L3MBTL1 4664/4885MTNR1A 1360/4885MTNR1B 682/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 L3MBTL1 2200/4885MTNR1A 4528/4885MTNR1B 4573/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 L3MBTL1 2200/4885MTNR1A 4528/4885MTNR1B 4573/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 L3MBTL1 2200/4885MTNR1A 4528/4885MTNR1B 4573/4885

“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.