SCHEMBL72412

SCHEMBL72412

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LGMN Q99538 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL70943 0.98 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ALGMN
SCHEMBL70942 0.98 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ALGMN
SCHEMBL73422 0.91 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ALGMN
SCHEMBL73423 0.91 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ALGMN
SCHEMBL72710 0.90 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL72711 0.90 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL72343 0.90 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ALGMN
Hydrochloric Acid SCHEMBL72344 0.90 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ALGMN
SCHEMBL70753 0.90 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ALGMN
SCHEMBL72241 0.89 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2ALGMN

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 216/4885TSHR 2972/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALDH1A1 207/4885TSHR 3047/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 525/4885TSHR 3028/4885MEN1 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.