SCHEMBL73422

SCHEMBL73422

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
FKBP1A P62942 2/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LGMN Q99538 1/20 0.36

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
SCHEMBL73423 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
Hydrochloric Acid SCHEMBL72343 0.99 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL72711 0.99 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL72710 0.99 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
Hydrochloric Acid SCHEMBL72344 0.99 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL70753 0.99 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL70245 0.95 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL70244 0.95 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL70540 0.94 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL73923 0.94 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRMAPT

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 216/4885MEN1 4254/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALDH1A1 207/4885MEN1 4337/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 525/4885MEN1 4226/4885KMT2A 881/4885

“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.