SCHEMBL2572509

SCHEMBL2572509

O=C(O)NCCc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.60
▸ PLA2G2A P14555 1/20 0.60
▸ MRGPRX4 Q96LA9 2/20 0.57
▸ SMPD1 P17405 1/20 0.57
▸ HDAC4 P56524 1/20 0.56
▸ FFAR1 O14842 4/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ FFAR4 Q5NUL3 1/20 0.55
▸ NR4A2 P43354 1/20 0.54
▸ BCHE P06276 2/20 0.54
▸ SPHK2 Q9NRA0 2/20 0.53
▸ SPHK1 Q9NYA1 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL2574407 0.87 MRGPRX4 (0.60) MRGPRX4SMPD1HDAC4NR4A2BCHE
SCHEMBL2749630 0.87 CYP4F2 (0.63) LTA4HPLA2G2ASMPD1FFAR1NR4A2
SCHEMBL2567827 0.85 LTA4H (0.51) LTA4HPLA2G2AMRGPRX4SMPD1HDAC4
SCHEMBL1437584 0.84 FFAR1 (0.65) LTA4HFFAR1FFAR4NR4A2BCHE
SCHEMBL8339114 0.83 FFAR1 (0.78) MRGPRX4FFAR1AKR1B1FFAR4
SCHEMBL12646542 0.81 FFAR1 (0.60) MRGPRX4SMPD1HDAC4FFAR1AKR1B1
SCHEMBL7445953 0.81 CYP4F2 (0.72) LTA4HMRGPRX4SMPD1HDAC4FFAR1
SCHEMBL1728418 0.81 CNR1 (0.59) FFAR1HTT
SCHEMBL3278183 0.80 HCAR2 (0.54) KDM4E
SCHEMBL2137838 0.79 MRGPRX4 (0.69) MRGPRX4HDAC4NR4A2BCHE

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 LTA4H 1776/4885PLA2G2A 3195/4885MRGPRX4 1757/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP LTA4H 1619/4885PLA2G2A 3081/4885MRGPRX4 1683/4885

“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.

Send feedback