SCHEMBL5151565

SCHEMBL5151565

COc1cc(CC(=O)C(Oc2ccc(C(=O)O)cc2)(Oc2ccc(C(=O)O)cc2)N2CCCC2)ccc1NC(=O)Nc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.57
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ITGB1 P05556 2/20 0.44
PYGL P06737 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL5151532 0.94 ITGA4 (0.50) ITGA4ALDH1A1LMNASMN1; SMN2ITGB1
SCHEMBL6544076 0.91 ITGA4 (0.57) ITGA4ALDH1A1LMNASMN1; SMN2ITGB1
SCHEMBL6544236 0.91 ITGA4 (0.57) ITGA4ALDH1A1LMNASMN1; SMN2ITGB1
SCHEMBL5152442 0.91 ITGA4 (0.57) ITGA4SMN1; SMN2ITGB1KMT2AGAA
SCHEMBL6212266 0.91 ITGA4 (0.58) ITGA4ALDH1A1LMNASMN1; SMN2ITGB1
SCHEMBL5149789 0.91 ITGA4 (0.49) ITGA4ALDH1A1LMNASMN1; SMN2ITGB1
SCHEMBL5149716 0.88 ITGA4 (0.47) ITGA4ALDH1A1LMNASMN1; SMN2ITGB1
SCHEMBL6543408 0.88 ITGA4 (0.55) ITGA4SMN1; SMN2ITGB1KMT2AGAA
SCHEMBL6544253 0.87 ITGA4 (0.49) ITGA4ALDH1A1LMNAITGB1PYGL
SCHEMBL5153501 0.85 ITGA4 (0.49) ITGA4ALDH1A1LMNASMN1; SMN2ITGB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885ALDH1A1 120/4885LMNA 2312/4885

“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.