SCHEMBL5147705

SCHEMBL5147705

CCCCCCC1=C(N[C@H](C(=O)O)C(CC)c2ccc(Oc3nccc4ccncc34)cc2)C(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
DRD1 P21728 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC10A1 Q14973 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
SCHEMBL2986901 0.85 ITGB1 (0.41) PPARGSLC10A1
SCHEMBL5147512 0.83 FFAR1 (0.38) FFAR1DRD1
SCHEMBL5147702 0.81 ITGB1 (0.34) DRD1SLC10A1
SCHEMBL5148581 0.80 FFAR1 (0.36) FFAR1DRD1
SCHEMBL5149383 0.79 FFAR1 (0.37) FFAR1DRD1
SCHEMBL5147710 0.79 FFAR1 (0.33) FFAR1DRD1
SCHEMBL5261695 0.79 FFAR1 (0.36) FFAR1DRD1
SCHEMBL7259517 0.78 FFAR1 (0.38) FFAR1DRD1LMNA
SCHEMBL5148512 0.76 ITGB1 (0.37) FFAR1DRD1
SCHEMBL3873136 0.76 ITGB1 (0.38) SLC10A1

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 FFAR1 151/4885DRD1 3101/4885PPARG 175/4885

“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.