SCHEMBL5178693

SCHEMBL5178693

CC(C)(O[C@H]1CCCN1c1ncc(CCC(=O)O)s1)C(=O)Cc1cc(F)c(NC(=O)c2coc3ccccc23)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
ACKR3 P25106 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL5160663 0.87 ITGB1 (0.33) PTGDR2ACKR3GPBAR1
SCHEMBL5175985 0.78 ITGB1 (0.37) PTGDR2
SCHEMBL5160833 0.78 ITGB1 (0.50) ACKR3
SCHEMBL5163393 0.76 ITGB1 (0.43) PTGDR2ACKR3
SCHEMBL5178697 0.75 PTGDR2 (0.34) PTGDR2DHODH
SCHEMBL5160791 0.74 ITGA4 (0.40) PTGDR2ACKR3GPBAR1
SCHEMBL5160938 0.70 ITGB1 (0.43)
SCHEMBL5414719 0.69 ITGA4 (0.40) ACKR3GPBAR1
SCHEMBL5162846 0.69 ITGA4 (0.37) ACKR3GPBAR1
SCHEMBL5160982 0.69 ITGA4 (0.39) ACKR3GPBAR1

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 PTGDR2 2692/4885ACKR3 707/4885GPBAR1 1464/4885

“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.