SCHEMBL5161054

SCHEMBL5161054

O=C(O)CCc1cc([C@@H]2CCCN2OCC(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2Cl)no1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.32
ITGA4 P13612 6/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5161206 0.95 ITGB1 (0.38) ITGB1ITGA4PTGDR2HPGDSMN1; SMN2
SCHEMBL5162922 0.88 ITGB1 (0.33) ITGB1ITGA4PTGDR2SMN1; SMN2ALDH1A1
SCHEMBL5424270 0.86 ALDH1A1 (0.32) ITGB1ITGA4PTGDR2SMN1; SMN2ALDH1A1
SCHEMBL5162560 0.83 ITGB1 (0.38) ITGB1ITGA4PTGDR2ALDH1A1HTT
SCHEMBL5161415 0.82 ITGB1 (0.37) ITGB1ITGA4PTGDR2SMN1; SMN2ALDH1A1
SCHEMBL5160306 0.82 ITGB1 (0.52) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL14371600 0.80 ITGA4 (0.45) ITGB1ITGA4PTGDR2HPGDSMN1; SMN2
SCHEMBL14400262 0.80 ITGA4 (0.45) ITGB1ITGA4PTGDR2HPGDSMN1; SMN2
SCHEMBL14371599 0.76 ITGA4 (0.47) ITGB1ITGA4PTGDR2C5AR1PIN1
SCHEMBL14400211 0.76 ITGA4 (0.47) ITGB1ITGA4PTGDR2C5AR1PIN1

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 3/4885PTGDR2 2692/4885

“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.