SCHEMBL2809615

SCHEMBL2809615

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NTSR1 P30989 1/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.39
SYK P43405 1/20 0.38
MAPK1 P28482 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL2570501 0.93 CCR6 (0.41) CCR6PAX8MEN1KMT2APOLB
SCHEMBL2572715 0.92 MEN1 (0.41) CCR6PAX8MEN1KMT2APOLB
SCHEMBL2567831 0.89 CCR6 (0.51) CCR6PAX8CD274KDM4EL3MBTL1
SCHEMBL2572017 0.83 MAPT (0.49) MEN1KMT2APOLBGPR55PDCD1
SCHEMBL2573485 0.83 KDM4E (0.50) PDCD1CD274KDM4EHDAC1BRD4
SCHEMBL2571445 0.83 CCR6 (0.45) CCR6PAX8KDM4ENPSR1L3MBTL1
SCHEMBL2567693 0.82 CCR6 (0.48) CCR6PAX8KDM4E
SCHEMBL2564333 0.82 CCR6 (0.43) CCR6PAX8KDM4EL3MBTL1EGFR
SCHEMBL2803491 0.81 KDM4E (0.47) MEN1KMT2APDCD1CD274TDP1
SCHEMBL2803215 0.81 HDAC1 (0.42) POLBPDCD1CD274KDM4EHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 713/4885MEN1 3310/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CCR6 1174/4885PAX8 356/4885MEN1 3540/4885

“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.