SCHEMBL2809477

SCHEMBL2809477

N#CCCCc1cccc(-c2ccc(CO)cc2)c1.O=C(NCCCCc1cccc(-c2ccc(CO)cc2)c1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
HTT P42858 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
TGM2 P21980 1/20 0.44
MGLL Q99685 2/20 0.44
ENPP2 Q13822 1/20 0.44
FOLH1 Q04609 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2571253 0.92 HTT (0.53) MMP2MMP9HTTKEAP1NFE2L2
SCHEMBL2809479 0.90 MMP2 (0.47) MMP2MMP9HTTKEAP1NFE2L2
SCHEMBL2571978 0.84 HTT (0.53) MMP2MMP9HTTKEAP1NFE2L2
SCHEMBL30605297 0.81 HTT (0.63) MMP2MMP9HTTKEAP1NFE2L2
SCHEMBL7604913 0.80 HTT (0.65) HTTKEAP1NFE2L2TGM2FOLH1
SCHEMBL2571236 0.80 MMP3 (0.49) MMP3MMP13CTSLCTSBCTSS
SCHEMBL12176970 0.79 HTT (0.67) HTTKEAP1NFE2L2TGM2FOLH1
SCHEMBL25334836 0.78 HTT (0.56) MMP2MMP9HTTKEAP1NFE2L2
SCHEMBL30605315 0.78 HTT (0.59) MMP2MMP9HTTKEAP1NFE2L2
SCHEMBL915776 0.78 MAPT (0.58) HTTKEAP1NFE2L2TGM2CTSL

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 MMP2 2302/4885MMP9 2284/4885HTT 2709/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP MMP2 2690/4885MMP9 2689/4885HTT 2629/4885

“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.