SCHEMBL2432661

SCHEMBL2432661

COC(=O)C1CCC(OC(F)(C(=O)Cc2ccc3nc(Nc4ccccc4Cl)oc3c2)N2CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 13/20 0.45
ITGB1 P05556 7/20 0.45
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
OPRK1 P41145 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
RORC P51449 1/20 0.35
SSTR5 P35346 2/20 0.35

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
SCHEMBL2429846 0.93 ITGA4 (0.53) ITGA4ITGB1NPC1RAB9ARORC
SCHEMBL2429140 0.93 ITGA4 (0.52) ITGA4ITGB1NPC1RAB9A
SCHEMBL2433069 0.92 ITGA4 (0.46) ITGA4ITGB1NPC1RAB9ARORC
SCHEMBL2436082 0.92 ITGA4 (0.53) ITGA4ITGB1NPC1RAB9AOPRK1
SCHEMBL2436085 0.92 ITGA4 (0.53) ITGA4ITGB1NPC1RAB9AOPRK1
SCHEMBL2437634 0.87 ITGA4 (0.54) ITGA4ITGB1
SCHEMBL2437632 0.87 ITGA4 (0.54) ITGA4ITGB1
SCHEMBL2436149 0.87 ITGA4 (0.45) ITGA4ITGB1RORCSSTR5
SCHEMBL2436146 0.87 ITGA4 (0.45) ITGA4ITGB1RORCSSTR5
SCHEMBL2432722 0.87 ITGB1 (0.54) ITGA4ITGB1NPC1RAB9AOPRK1

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 ITGA4 4/4885ITGB1 5/4885NPC1 1278/4885

“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.