SCHEMBL10286752

SCHEMBL10286752

Cc1cc(NC(=O)c2cn(C)c3ccccc23)c(C)cc1CC(=O)N1C[C@@H](N2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1CO[C@H]1CC[C@H](C=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.51
ITGA4 P13612 18/20 0.51
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HCRTR1 O43613 1/20 0.32
POLB P06746 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
SCHEMBL92551 0.90 ITGA4 (0.64) ITGB1ITGA4
SCHEMBL93053 0.89 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL10273103 0.89 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL10273798 0.89 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL10273799 0.89 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL92356 0.89 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL14263706 0.85 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL10273039 0.85 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL10273028 0.84 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL93088 0.84 ITGA4 (0.66) ITGB1ITGA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGB1 22/4885ITGA4 3/4885LMNA 1466/4885

“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.