SCHEMBL70024

SCHEMBL70024

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)Cc2ccc(NC(=O)c3nn(C)c4ccccc34)c(Cl)c2)(N2CCCC2)N2C[C@H](OC)[C@@H](OC)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
ITGB1 P05556 6/20 0.39
ITGA4 P13612 6/20 0.39
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MET P08581 1/20 0.35
ALK Q9UM73 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HTR3A P46098 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL83398 0.93 ITGB1 (0.44) KDM1AITGB1ITGA4HTR3A
SCHEMBL73780 0.92 KDM1A (0.39) KDM1AITGB1ITGA4MAPTGAA
SCHEMBL71709 0.89 ITGB1 (0.39) KDM1AITGB1ITGA4MAPTGAA
SCHEMBL71710 0.89 ITGB1 (0.39) KDM1AITGB1ITGA4MAPTGAA
SCHEMBL71598 0.85 ITGB1 (0.45) KDM1AITGB1ITGA4HTR3A
SCHEMBL73065 0.84 ITGB1 (0.40) ITGB1ITGA4MAPTGAATSHR
SCHEMBL2433155 0.84 KDM1A (0.42) KDM1AITGB1ITGA4TSHRALDH1A1
SCHEMBL2433151 0.84 KDM1A (0.42) KDM1AITGB1ITGA4TSHRALDH1A1
SCHEMBL72524 0.82 ITGB1 (0.44) KDM1AITGB1ITGA4HTR3A
SCHEMBL72525 0.82 ITGB1 (0.44) KDM1AITGB1ITGA4HTR3A

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 KDM1A 1223/4885ITGB1 16/4885ITGA4 3/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KDM1A 1336/4885ITGB1 13/4885ITGA4 3/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KDM1A 2068/4885ITGB1 22/4885ITGA4 3/4885

“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.