SCHEMBL5147804

SCHEMBL5147804

CCC(c1ccc(Nc2nccc3cnccc23)cc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
LATS1 O95835 5/20 0.36
LATS2 Q9NRM7 1/20 0.36
CYP17A1 P05093 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
CSNK2A1 P68400 3/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
KDR P35968 1/20 0.34
NAMPT P43490 1/20 0.33
FLT4 P35916 1/20 0.33
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
SREBF2 Q12772 1/20 0.33
TRPA1 O75762 1/20 0.33
ABCB1 P08183 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
SCHEMBL2990959 0.94 EGFR (0.38) EGFRLATS1LATS2CYP17A1CSNK2A1
SCHEMBL7144436 0.83 TRPV1 (0.36) LATS1LATS2TRPV1
SCHEMBL7144431 0.83 TRPV1 (0.36) LATS1LATS2TRPV1
SCHEMBL7104303 0.81 ITGB3 (0.48)
SCHEMBL2978498 0.81 ITGB3 (0.48)
SCHEMBL7260720 0.81 MAPT (0.39) EGFRCSNK2A1KDRCSNK2A2CSNK2B
SCHEMBL5264737 0.80 TRPV1 (0.37) EGFRTRPV1CSNK2A1KDRCSNK2A2
SCHEMBL5149503 0.80 TRPV1 (0.37) EGFRTRPV1CSNK2A1KDRCSNK2A2
SCHEMBL5149368 0.78 ITGB1 (0.34) TRPV1CSNK2A1KDRCSNK2A2CSNK2B
SCHEMBL5147808 0.78 LATS1 (0.40) EGFRLATS1LATS2CYP17A1TRPV1

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 EGFR 697/4885LATS1 1463/4885LATS2 1327/4885

“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.