SCHEMBL6766172

SCHEMBL6766172

COC[C@@H]1CCCN1C(OC1CCC(C(=O)O)CC1)C(=O)Cc1cc(Cl)c(NC(=O)c2cn(C)c3ccccc23)cc1F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.72
ITGA4 P13612 17/20 0.72
DHODH Q02127 1/20 0.37
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5361179 0.95 ITGB1 (0.64) ITGB1ITGA4DHODHKDM1AMEN1
SCHEMBL2433300 0.89 ITGB1 (0.71) ITGB1ITGA4KDM1AMEN1KMT2A
SCHEMBL5372931 0.88 ITGB1 (0.61) ITGB1ITGA4KDM1AMEN1ALDH1A1
SCHEMBL2431996 0.85 ITGB1 (0.62) ITGB1ITGA4KDM1AMEN1ALDH1A1
SCHEMBL72070 0.84 ITGB1 (0.68) ITGB1ITGA4DHODHKDM1A
SCHEMBL72069 0.84 ITGB1 (0.68) ITGB1ITGA4DHODHKDM1A
SCHEMBL2433299 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL2434316 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592675 0.83 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL14592589 0.83 ITGB1 (0.81) ITGB1ITGA4

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-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885DHODH 4281/4885

“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.