SCHEMBL2567693

SCHEMBL2567693

NCc1ccc(-c2ccccc2)c(OCCCN(CCCCO)C(=O)OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
KDM4E B2RXH2 2/20 0.39
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
RAF1 P04049 1/20 0.37
MAP2K1 Q02750 1/20 0.37
CFD P00746 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
F11 P03951 1/20 0.37
KLKB1 P03952 1/20 0.37
F7 P08709 1/20 0.37
TPSB2 P20231 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CSNK2A1 P68400 2/20 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
SCHEMBL2571700 0.91 CCR6 (0.43) CCR6PAX8KDM4ERXRARXRB
SCHEMBL2567305 0.90 PTGDR2 (0.43) CCR6PAX8KDM4ERXRARXRB
SCHEMBL2567831 0.87 CCR6 (0.51) CCR6PAX8KDM4ERXRARXRB
SCHEMBL2809615 0.82 CCR6 (0.46) CCR6PAX8KDM4E
SCHEMBL2571445 0.79 CCR6 (0.45) CCR6PAX8KDM4EALDH1A1PTGDR2
SCHEMBL2564333 0.78 CCR6 (0.43) CCR6PAX8KDM4EALDH1A1PTGDR2
SCHEMBL2574395 0.77 HTT (0.51) ALDH1A1SMN1; SMN2
SCHEMBL2568552 0.76 CFD (0.47) KDM4ECFDCYP11B1CYP11B2CYP19A1
SCHEMBL2570501 0.75 CCR6 (0.41) CCR6PAX8KDM4E
SCHEMBL2570251 0.74 CSNK2A1 (0.47) RXRARXRBRXRGCFDPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 CCR6 1137/4885PAX8 713/4885KDM4E 3863/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CCR6 1174/4885PAX8 356/4885KDM4E 3787/4885

“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.