SCHEMBL5149334

SCHEMBL5149334

CCN[C@@H](Cc1ccc(Oc2nc(C)cc3ccncc23)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.38
ITGB1 P05556 6/20 0.37
ITGA4 P13612 6/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
MAPT P10636 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GPR132 Q9UNW8 2/20 0.35
DGAT2 Q96PD7 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6537537 0.84 ITGB3 (0.48) ITGB1ITGA4PPARGPPARAACE
SCHEMBL2986557 0.84 ITGB3 (0.48) ITGB1ITGA4PPARGPPARAACE
SCHEMBL2984999 0.84 TPH1 (0.41) PPARGMAPTITGB3ITGA2B
SCHEMBL6537259 0.84 TPH1 (0.41) PPARGMAPTITGB3ITGA2B
Hydrochloric Acid SCHEMBL7259630 0.83 TPH1 (0.41) PPARGMAPTITGB3ITGA2B
Hydrochloric Acid SCHEMBL7259635 0.83 TPH1 (0.41) PPARGMAPTITGB3ITGA2B
SCHEMBL7264635 0.82 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7264644 0.82 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL5262264 0.82 ITGB1 (0.38) ITGB1ITGA4PPARGPPARAMAPT
SCHEMBL5260326 0.82 ITGB1 (0.38) ITGB1ITGA4PPARGPPARAMAPT

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 JAK2 652/4885ITGB1 3/4885ITGA4 40/4885

“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.