SCHEMBL72352

SCHEMBL72352

COc1cc(CC(=O)O)ccc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR2 O95136 1/20 0.48
LMNA P02545 1/20 0.48
NR4A2 P43354 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
BRD4 O60885 1/20 0.46
BRPF1 P55201 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.44
CNR2 P34972 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL14626962 0.92 POLB (0.63) POLBMAPTMEN1KMT2AS1PR2
SCHEMBL14591773 0.89 POLB (0.58) POLBMAPTMEN1KMT2AS1PR2
SCHEMBL72718 0.88 MAPT (0.57) POLBMAPTMEN1KMT2AS1PR2
SCHEMBL70951 0.86 RAB9A (0.52) POLBMAPTMEN1KMT2ALMNA
SCHEMBL2431865 0.85 ITGB1 (0.57) POLBMAPTKMT2ALMNANR4A2
SCHEMBL2433768 0.85 LMNA (0.50) POLBMAPTMEN1KMT2ALMNA
SCHEMBL92336 0.85 MEN1 (0.55) POLBMAPTMEN1KMT2AS1PR2
SCHEMBL2429778 0.83 ITGB1 (0.51) POLBMAPTMEN1KMT2AS1PR2
SCHEMBL2429782 0.80 MEN1 (0.48) POLBMAPTMEN1KMT2AS1PR2
SCHEMBL70920 0.78 PIN1 (0.52) MAPTMEN1KMT2ANR1H4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 POLB 3346/4885MAPT 4775/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 POLB 3839/4885MAPT 4773/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 POLB 3232/4885MAPT 4795/4885MEN1 4226/4885

“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.