SCHEMBL5160616

SCHEMBL5160616

O=C(O)CCc1cnc([C@@]2(F)CCCN2C(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2F)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.36
ITGA4 P13612 8/20 0.36
C5AR1 P21730 1/20 0.35
FFAR2 O15552 7/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
PIK3CA P42336 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL5160549 0.95 FFAR2 (0.35) ITGB1ITGA4FFAR2HTR1ADRD2
SCHEMBL5161828 0.91 ITGB1 (0.35) ITGB1ITGA4C5AR1FFAR2HTR1A
SCHEMBL5407542 0.89 ITGA4 (0.36) ITGB1ITGA4FFAR2HTR1ADRD2
SCHEMBL5160790 0.87 ITGB1 (0.50) ITGB1ITGA4TP53THRB
SCHEMBL5162628 0.87 ITGB1 (0.34) ITGB1ITGA4C5AR1FFAR2
SCHEMBL5160249 0.83 ITGB1 (0.46) ITGB1ITGA4TP53THRB
SCHEMBL5160614 0.81 ITGA4 (0.44) ITGB1ITGA4C5AR1
SCHEMBL14371685 0.80 ITGA4 (0.40) ITGB1ITGA4C5AR1TP53THRB
SCHEMBL14371640 0.79 ITGA4 (0.39) ITGB1ITGA4C5AR1FFAR2PIK3CA
SCHEMBL14371596 0.78 ITGA4 (0.47) 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-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 ITGB1 9/4885ITGA4 3/4885C5AR1 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.