SCHEMBL2437567

SCHEMBL2437567

O=C(Cc1ccc(Nc2nc3ccccc3o2)c(Cl)n1)C(F)(O[C@H]1CC[C@H](C(=O)O)CC1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.49
ITGA4 P13612 13/20 0.49
RORC P51449 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.34
SSTR5 P35346 1/20 0.34
GALK1 P51570 1/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL2432072 0.93 ITGB1 (0.42) ITGB1ITGA4RORCNPC1RAB9A
SCHEMBL2432614 0.88 ITGB1 (0.62) ITGB1ITGA4RORCNPC1RAB9A
SCHEMBL2432616 0.88 ITGB1 (0.62) ITGB1ITGA4RORCNPC1RAB9A
SCHEMBL2433229 0.85 ITGB1 (0.50) ITGB1ITGA4RORCNPC1RAB9A
SCHEMBL2433230 0.85 ITGB1 (0.50) ITGB1ITGA4RORCNPC1RAB9A
SCHEMBL2430006 0.85 ITGA4 (0.52) ITGB1ITGA4RORCSSTR5
SCHEMBL2430005 0.85 ITGA4 (0.52) ITGB1ITGA4RORCSSTR5
SCHEMBL2429140 0.83 ITGA4 (0.52) ITGB1ITGA4NPC1RAB9A
SCHEMBL2436085 0.81 ITGA4 (0.53) ITGB1ITGA4RORCNPC1RAB9A
SCHEMBL2436082 0.81 ITGA4 (0.53) ITGB1ITGA4RORCNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885RORC 675/4885

“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.