SCHEMBL71923

SCHEMBL71923

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2Cl)(N2CCCC2)N2CCN(C)C(=O)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ITGB1 P05556 7/20 0.36
ITGA4 P13612 7/20 0.36
ATM Q13315 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL71924 1.00 MAPT (0.38) MAPTITGB1ITGA4ATMKMT2A
SCHEMBL70860 0.93 ITGB1 (0.42) MAPTITGB1ITGA4KMT2ASMN1; SMN2
SCHEMBL70861 0.93 ITGB1 (0.42) MAPTITGB1ITGA4KMT2ASMN1; SMN2
SCHEMBL72586 0.93 MAPT (0.40) MAPTITGB1ITGA4ATMKMT2A
SCHEMBL72585 0.93 MAPT (0.40) MAPTITGB1ITGA4ATMKMT2A
SCHEMBL71933 0.93 MAPT (0.40) MAPTITGB1ITGA4ATMKMT2A
SCHEMBL71934 0.93 MAPT (0.40) MAPTITGB1ITGA4ATMKMT2A
SCHEMBL72473 0.90 ITGB1 (0.39) MAPTITGB1ITGA4ATMKMT2A
SCHEMBL71156 0.89 ITGB1 (0.41) MAPTITGB1ITGA4ATMPOLB
SCHEMBL71155 0.89 ITGB1 (0.41) MAPTITGB1ITGA4ATMPOLB

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 MAPT 4775/4885ITGB1 16/4885ITGA4 3/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885ITGB1 13/4885ITGA4 3/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885ITGB1 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.