SCHEMBL14558359

SCHEMBL14558359

COc1cc(CC(=O)N2CCC[C@H]2CN(C)c2ccc(C(=O)O)cc2[N+](=O)[O-])ccc1NC(=O)Nc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 13/20 0.50
▸ ITGB1 P05556 4/20 0.50
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PYGL P06737 1/20 0.38
▸ PDE5A O76074 1/20 0.37

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
SCHEMBL5152022 1.00 ITGA4 (0.50) ITGA4ITGB1MEN1RAB9AKMT2A
SCHEMBL5149772 0.95 ITGA4 (0.48) ITGA4ITGB1MEN1RAB9AKMT2A
SCHEMBL14558830 0.89 ITGA4 (0.52) ITGA4ITGB1ALDH1A1PYGL
SCHEMBL14558358 0.87 ITGA4 (0.55) ITGA4ITGB1ALDH1A1PYGL
SCHEMBL5152912 0.84 ITGA4 (0.51) ITGA4ITGB1RAB9AMAPTALDH1A1
SCHEMBL5155099 0.83 ITGA4 (0.51) ITGA4ITGB1ALDH1A1PYGL
SCHEMBL5155094 0.82 ITGA4 (0.44) ITGA4ITGB1ALDH1A1
SCHEMBL14558349 0.81 ITGA4 (0.57) ITGA4ITGB1ALDH1A1PYGL
SCHEMBL5149771 0.81 ITGA4 (0.57) ITGA4ITGB1ALDH1A1PYGL
SCHEMBL14558345 0.80 ITGA4 (0.61) ITGA4ITGB1

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 4 patents. 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
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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 4/4885ITGB1 8/4885MEN1 3283/4885

“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.

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