SCHEMBL91574

SCHEMBL91574

CCOC(=O)c1ccc(OC[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14254474 1.00 POLB (0.48) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL92404 0.89 NR4A1 (0.50) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL14254478 0.89 CHRNB2 (0.48) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL14254475 0.88 CHRNB2 (0.46) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL12327761 0.81 CHRNB2 (0.46) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL85313 0.81 KCNH2 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4LMNA
SCHEMBL26714275 0.80 POLB (0.55) POLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL31722127 0.80 POLB (0.55) POLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL12327950 0.80 CHRNB2 (0.45) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL13032659 0.80 POLB (0.57) POLBLMNAKDM4ESMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7345179-B2 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
US-20070105935-A1 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105935-A1 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US 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 (4 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 3346/4885CHRNB2 3019/4885CHRNA5 3021/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 POLB 3839/4885CHRNB2 3177/4885CHRNA5 2902/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 POLB 3232/4885CHRNB2 3512/4885CHRNA5 3488/4885
US-20070105935-A1 Process for producing pyrrolidine derivative ACSL4, ALDH18A1, LTA POLB 1369/4885CHRNB2 4677/4885CHRNA5 3707/4885

“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.