SCHEMBL5162765

SCHEMBL5162765

O=C(O)CCc1cnc(N2CCC[C@H]2COCC(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2F)s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 10/20 0.40
ITGB1 P05556 9/20 0.40
C5AR1 P21730 3/20 0.33
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
PIK3CA P42336 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
CHRM3 P20309 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
SCHEMBL5160816 0.94 ITGB1 (0.40) ITGA4ITGB1C5AR1TP53PIK3CA
SCHEMBL5160791 0.89 ITGA4 (0.40) ITGA4ITGB1TP53THRBPTGDR2
SCHEMBL5410475 0.89 ITGB1 (0.40) ITGA4ITGB1C5AR1TP53THRB
SCHEMBL5160960 0.88 ITGB1 (0.54) ITGA4ITGB1CHRM3
SCHEMBL5161415 0.84 ITGB1 (0.37) ITGA4ITGB1C5AR1TP53THRB
SCHEMBL5175985 0.84 ITGB1 (0.37) ITGA4ITGB1C5AR1TP53THRB
SCHEMBL5414719 0.83 ITGA4 (0.40) ITGA4ITGB1TP53THRBCHRM3
SCHEMBL5176215 0.83 ITGB1 (0.52) ITGA4ITGB1CHRM3
SCHEMBL5160701 0.83 ITGB1 (0.47) ITGA4ITGB1PTGDR2
SCHEMBL5160614 0.81 ITGA4 (0.44) ITGA4ITGB1C5AR1

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.