SCHEMBL5162706

SCHEMBL5162706

COC(=O)CCc1cnc([C@@H]2CC3CCCCC3N2C(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2F)s1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.37
ITGB1 P05556 11/20 0.37
C5AR1 P21730 2/20 0.34
PIK3CA P42336 4/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CFD P00746 1/20 0.31

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
SCHEMBL14371780 1.00 ITGA4 (0.37) ITGA4ITGB1C5AR1PIK3CAMEN1
SCHEMBL14371632 0.93 ITGA4 (0.38) ITGA4ITGB1C5AR1PIK3CACFD
SCHEMBL5158598 0.93 ITGA4 (0.38) ITGA4ITGB1C5AR1PIK3CACFD
SCHEMBL14608792 0.90 ITGA4 (0.36) ITGA4ITGB1C5AR1PIK3CACFD
SCHEMBL14371778 0.89 ITGB1 (0.49) ITGA4ITGB1MAPTCFD
SCHEMBL5161433 0.89 ITGB1 (0.49) ITGA4ITGB1MAPTCFD
SCHEMBL14371771 0.87 ITGA4 (0.40) ITGA4ITGB1C5AR1PIK3CA
SCHEMBL14371758 0.86 ITGA4 (0.39) ITGA4ITGB1C5AR1PIK3CA
SCHEMBL5162711 0.86 ITGA4 (0.40) ITGA4ITGB1C5AR1PIK3CA
SCHEMBL14371921 0.83 ITGA4 (0.39) ITGA4ITGB1C5AR1PIK3CA

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-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 ITGA4 3/4885ITGB1 9/4885C5AR1 885/4885

“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.