SCHEMBL71956

SCHEMBL71956

CCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LGMN Q99538 2/20 0.40
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CPB2 Q96IY4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PDK2 Q15119 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL71955 1.00 MAPT (0.40) MAPTLGMNGAAALDH1A1MEN1
SCHEMBL73422 0.85 ALDH1A1 (0.46) MAPTLGMNGAAALDH1A1MEN1
SCHEMBL73423 0.85 ALDH1A1 (0.46) MAPTLGMNGAAALDH1A1MEN1
SCHEMBL71462 0.85 GPR119 (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL71463 0.85 GPR119 (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL72710 0.84 ALDH1A1 (0.46) MAPTGAAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL72343 0.84 ALDH1A1 (0.46) MAPTLGMNGAAALDH1A1MEN1
SCHEMBL70753 0.84 ALDH1A1 (0.46) MAPTLGMNGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL72344 0.84 ALDH1A1 (0.46) MAPTLGMNGAAALDH1A1MEN1
SCHEMBL72711 0.84 ALDH1A1 (0.46) MAPTGAAALDH1A1MEN1KMT2A

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 5 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
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 MAPT 4775/4885LGMN 3510/4885GAA 2114/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885LGMN 3396/4885GAA 1897/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885LGMN 3289/4885GAA 1989/4885

“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.