SCHEMBL3577447

SCHEMBL3577447

NC(CC(=O)OCc1ccccc1)C(C(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CDC25B P30305 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA12 O43570 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 5/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ADAMTS4 O75173 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL1825994 0.94 SMN1; SMN2 (0.40) SLC15A1LTA4HLAP3TDP1ALDH1A1
SCHEMBL1822994 0.93 LMNA (0.47) SLC15A1ALDH1A1CA12P2RX7LMNA
SCHEMBL1826727 0.93 CA1 (0.41) LTA4HLAP3TDP1ALDH1A1P2RX7
SCHEMBL1823003 0.91 CA1 (0.38) SLC15A1LTA4HLAP3TDP1ALDH1A1
SCHEMBL1827136 0.90 P2RX7 (0.43) SLC15A1LTA4HTDP1CDC25BCA12
SCHEMBL1825905 0.90 P2RX7 (0.43) LTA4HLAP3TDP1ALDH1A1P2RX7
SCHEMBL3571445 0.89 P2RX7 (0.44) ALDH1A1P2RX7SMN1; SMN2LMNAMAPT
SCHEMBL1824880 0.89 LTA4H (0.50) LTA4HLAP3TDP1P2RX7CA1
SCHEMBL1823131 0.88 SLC15A1 (0.43) SLC15A1LTA4HLAP3CDC25BALDH1A1
SCHEMBL1825694 0.88 CASP3 (0.38) SLC15A1LTA4HLAP3CDC25BCA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (2 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 SLC15A1 3789/4885LTA4H 3852/4885LAP3 4413/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SLC15A1 4652/4885LTA4H 3332/4885LAP3 2586/4885

“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.