SCHEMBL3834192

SCHEMBL3834192

COc1cc(C[C@](C)(NC2=CC(=O)C23CCCCC3)C(=O)O)cc(OC)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.38
ITGB7 P26010 12/20 0.38
ITGB1 P05556 11/20 0.38
PDCD1 Q15116 4/20 0.35
CD274 Q9NZQ7 4/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3837029 0.91 ITGA4 (0.39) ITGA4ITGB7ITGB1PDCD1CD274
SCHEMBL3836894 0.83 ITGB1 (0.37) ITGA4ITGB7ITGB1LMNA
SCHEMBL2978524 0.79 ITGA4 (0.49) ITGA4ITGB7ITGB1
SCHEMBL3834182 0.79 ITGA4 (0.45) ITGA4ITGB7ITGB1
SCHEMBL3834188 0.72 ITGA4 (0.38) ITGA4ITGB7ITGB1LMNAALDH1A1
SCHEMBL2986983 0.70 ITGB1 (0.49) ITGA4ITGB7ITGB1
SCHEMBL3837027 0.70 ITGA4 (0.45) ITGA4ITGB7ITGB1
SCHEMBL3836888 0.67 ITGB1 (0.46) ITGA4ITGB7ITGB1
SCHEMBL2977847 0.67 ITGB1 (0.51) ITGA4ITGB7ITGB1
SCHEMBL2987481 0.65 ITGB1 (0.47) ITGA4ITGB7ITGB1

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-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US disclosed
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 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-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 ITGA4 40/4885ITGB7 11/4885ITGB1 3/4885

“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.