SCHEMBL3572878

SCHEMBL3572878

CC(C)(C)OC(=O)C(N)C(CC(=O)OCc1ccccc1)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC15A1 P46059 2/20 0.40
LTA4H P09960 1/20 0.37
SYK P43405 1/20 0.36
FAAH O00519 1/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
PSMB5 P28074 1/20 0.35
MMP9 P14780 1/20 0.35
SLC7A5 Q01650 1/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 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
SCHEMBL1828934 0.93 KMT2A (0.41) KMT2ASMN1; SMN2SLC15A1LTA4HSYK
SCHEMBL1822877 0.91 KMT2A (0.45) KMT2ASMN1; SMN2SLC15A1FAAHMMP9
SCHEMBL1825051 0.91 KMT2A (0.40) KMT2ASMN1; SMN2SLC15A1LTA4HFAAH
SCHEMBL1827379 0.89 SLC15A1 (0.42) SLC15A1LTA4HSYKKLK7KLK5
SCHEMBL1822249 0.89 L3MBTL1 (0.34) KMT2ASMN1; SMN2FAAHSLC7A5
SCHEMBL1821110 0.88 F10 (0.34)
SCHEMBL1826786 0.88 P2RX7 (0.45) KMT2ASMN1; SMN2SLC15A1
SCHEMBL1827072 0.87 KCNA5 (0.38)
SCHEMBL3578426 0.87 KMT2A (0.43) KMT2ASMN1; SMN2SLC15A1FAAHPPARG
SCHEMBL1826405 0.86 KMT2A (0.42) KMT2ASMN1; SMN2LTA4HSYKFAAH

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 KMT2A 1068/4885SMN1; SMN2 2274/4885SLC15A1 3789/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885SMN1; SMN2 3216/4885SLC15A1 4652/4885

“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.