SCHEMBL1554957

SCHEMBL1554957

CC(C)(C)OC(=O)CCN(CC=O)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.41
ALDH1A1 P00352 3/20 0.39
SYK P43405 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL7320141 0.88 CCR6 (0.43) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL1555285 0.85 CCR6 (0.49) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL1569283 0.84 ALDH1A1 (0.43) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL23685489 0.83 CCR6 (0.53) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL20089220 0.83 L3MBTL1 (0.46) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL1568742 0.82 CCR6 (0.41) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL15194354 0.82 ALOX5 (0.43) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL23685470 0.82 ALDH1A1 (0.48) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL3903941 0.81 L3MBTL1 (0.45) CCR6PAX8L3MBTL1ALDH1A1SYK
SCHEMBL31153832 0.81 L3MBTL1 (0.43) CCR6PAX8L3MBTL1ALDH1A1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762541-B Diaza derivatives as modulators of chemokine receptors HOFFMAN-LA ROCHE LTD. (CH) 2016-03-16 CN disclosed
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8445674-B2 Heterocyclyl compounds Hoffmann-La Roche Inc (US) 2013-05-21 US disclosed
CN-102762541-A Diaza derivatives as modulators of chemokine receptors HOFFMANN LA ROCHE 2012-10-31 CN disclosed
EP-2491022-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2012-08-29 EP disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
WO-2011048032-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 WO disclosed
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-21 US disclosed
EP-2307387-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 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 (2 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-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 CCR6 15/4885PAX8 2179/4885L3MBTL1 3581/4885
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR1 CCR6 14/4885PAX8 4004/4885L3MBTL1 948/4885

“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.