SCHEMBL5148458

SCHEMBL5148458

CCC[C@]1(C)C(=O)C=C1N[C@H](C(=O)O)C(CC)c1ccc(Nc2nccc3cnccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.32
CSNK2A1 P68400 3/20 0.31
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL5149368 0.91 ITGB1 (0.34) KDRCSNK2A1CSNK2A2CSNK2BTRPV1
SCHEMBL2976101 0.84 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL2976097 0.84 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL5148581 0.82 FFAR1 (0.36) ITGB1ITGA4
SCHEMBL3832798 0.80 ITGB1 (0.38) CSNK2A1CSNK2A2CSNK2BITGB1ITGA4
SCHEMBL6131672 0.80 ITGB1 (0.38) CSNK2A1CSNK2A2CSNK2BITGB1ITGA4
SCHEMBL5264737 0.77 TRPV1 (0.37) KDRCSNK2A1CSNK2A2CSNK2BTRPV1
SCHEMBL5149503 0.77 TRPV1 (0.37) KDRCSNK2A1CSNK2A2CSNK2BTRPV1
SCHEMBL5147804 0.76 EGFR (0.38) KDRCSNK2A1CSNK2A2CSNK2BTRPV1
SCHEMBL3833596 0.75 MEN1 (0.32) CSNK2A1CSNK2A2CSNK2BITGB1ITGA4

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 KDR 399/4885CSNK2A1 568/4885CSNK2A2 617/4885

“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.