SCHEMBL5148508

SCHEMBL5148508

CCOC(=O)[C@H](Cc1ccc(Oc2nccc3ccncc23)cc1)NC1=CC(=O)C12CCCCC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.47
ITGA4 P13612 16/20 0.47
DRD1 P21728 1/20 0.36
ELANE P08246 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ITGB7 P26010 1/20 0.31
LATS1 O95835 1/20 0.31
FFAR1 O14842 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
SCHEMBL5147632 0.91 ITGA4 (0.46) ITGB1ITGA4ELANECYP3A4CYP2C9
SCHEMBL7265369 0.90 ITGB1 (0.54) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL2974021 0.90 ITGB1 (0.54) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL5147510 0.88 ITGB1 (0.44) ITGB1ITGA4DRD1ELANEFFAR1
SCHEMBL3832796 0.86 ITGB1 (0.47) ITGB1ITGA4ELANECYP3A4CYP2C9
SCHEMBL5149373 0.86 ITGB1 (0.36) ITGB1ITGA4DRD1ELANEITGB7
SCHEMBL5575858 0.83 ITGA4 (0.54) ITGB1ITGA4CYP3A4CYP2C9ITGB7
SCHEMBL2973969 0.83 ITGA4 (0.54) ITGB1ITGA4CYP3A4CYP2C9ITGB7
SCHEMBL3835880 0.80 ITGB1 (0.46) ITGB1ITGA4ELANECYP3A4CYP2C9
SCHEMBL5148512 0.80 ITGB1 (0.37) ITGB1ITGA4DRD1CYP3A4CYP2C9

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-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 ITGB1 3/4885ITGA4 40/4885DRD1 3101/4885

“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.