SCHEMBL71348

SCHEMBL71348

CCOC(=O)C1CCC(OC[C@@H]2C[C@@H](N3CCN(S(C)(=O)=O)CC3)CN2C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCRTR2 O43614 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
RCE1 Q9Y256 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
F11 P03951 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL71349 1.00 HTT (0.37) HTTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL91944 0.86 MEN1 (0.37) ALDH1A1MEN1KMT2ATSHRPKM
SCHEMBL85425 0.83 MEN1 (0.35) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL10273159 0.80 MEN1 (0.40) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL91845 0.80 MEN1 (0.40) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL13437496 0.80 MEN1 (0.39) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL14254485 0.80 MEN1 (0.39) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL14500330 0.79 NR1H2 (0.40) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL14772077 0.77 MEN1 (0.36) ALDH1A1MEN1KMT2ATSHRPKM
SCHEMBL28516288 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2

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 HTT 4675/4885L3MBTL1 2703/4885ALDH1A1 216/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 HTT 4730/4885L3MBTL1 3136/4885ALDH1A1 207/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HTT 4814/4885L3MBTL1 2411/4885ALDH1A1 525/4885

“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.