SCHEMBL73355

SCHEMBL73355

CCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CCR8 P51685 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL72398 0.88 ALDH1A1 (0.42) ALDH1A1CCR8L3MBTL1ATMKDM4E
SCHEMBL71208 0.87 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL72021 0.85 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL71343 0.85 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL73422 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL73423 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL72360 0.84 CHRM2 (0.42) ALDH1A1CCR8KDM4ENPC1RAB9A
SCHEMBL72359 0.84 CHRM2 (0.42) ALDH1A1CCR8KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL72344 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL72710 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2GAA

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 6 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-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
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 ALDH1A1 216/4885CCR8 362/4885L3MBTL1 2703/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALDH1A1 207/4885CCR8 425/4885L3MBTL1 3136/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 525/4885CCR8 424/4885L3MBTL1 2411/4885

“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.