SCHEMBL10240182

SCHEMBL10240182

C=CCCN(CCC=C)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.55
PAX8 Q06710 1/20 0.55
ALDH1A1 P00352 5/20 0.46
HCAR2 Q8TDS4 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.43
TGM2 P21980 2/20 0.42
F13A1 P00488 1/20 0.41
TGM1 P22735 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CA12 O43570 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL15001656 0.94 CCR6 (0.56) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL21012223 0.91 CCR6 (0.47) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL25402483 0.88 CCR6 (0.44) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL12290092 0.87 CCR6 (0.43) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL504963 0.84 CCR6 (0.52) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL541750 0.84 HCAR2 (0.51) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL554069 0.80 CCR6 (0.64) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL4690235 0.80 HCAR2 (0.47) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL3186219 0.80 CCR6 (0.50) CCR6PAX8ALDH1A1HCAR2TDP1
SCHEMBL27353515 0.80 TGM2 (0.51) CCR6PAX8ALDH1A1HCAR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 EP disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 WO disclosed
US-9873671-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-01-23 US disclosed
US-9764036-B2 Lipids and compositions for the delivery of therapeutics ARBUTUS BIOPHARMA CORPORATION (CA) 2017-09-19 US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 US disclosed
EP-2788333-A1 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA Boehringer Ingelheim International GmbH (DE) 2014-10-15 EP disclosed
EP-2788086-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS Boehringer Ingelheim International GmbH (DE) 2014-10-15 EP disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
WO-2013083741-A1 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
WO-2013083591-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 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 (7 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-20130150341-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 CCR6 4446/4885PAX8 3858/4885ALDH1A1 3660/4885
US-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 CCR6 1789/4885PAX8 3378/4885ALDH1A1 3733/4885
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CCR6 1507/4885PAX8 1694/4885ALDH1A1 2038/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 CCR6 1789/4885PAX8 3378/4885ALDH1A1 3733/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 CCR6 4446/4885PAX8 3858/4885ALDH1A1 3660/4885
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 CCR6 567/4885PAX8 4634/4885ALDH1A1 3847/4885
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, ABCB4, LCAT CCR6 1025/4885PAX8 3335/4885ALDH1A1 4201/4885

“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.