SCHEMBL3578145

SCHEMBL3578145

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.42
CA2 P00918 4/20 0.42
ACHE P22303 4/20 0.42
CTSK P43235 7/20 0.41
CTSS P25774 4/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CA5A P35218 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB3 P13945 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1822907 0.92 CA1 (0.43) CA1CA2ACHECTSKCTSS
SCHEMBL1821259 0.91 CA1 (0.44) CA1CA2ACHECTSSCTSL
SCHEMBL1825989 0.90 CA1 (0.45) CA1CA2ACHECTSKCTSS
SCHEMBL1829064 0.89 HSD17B10 (0.47) CA1CA2ACHECTSSCTSL
SCHEMBL1826212 0.89 CA1 (0.49) CA1CA2ACHECTSKCTSS
SCHEMBL1824565 0.87 SYK (0.50) CA1CA2ACHECTSKCTSS
SCHEMBL1823376 0.87 P2RX7 (0.44) CA1CTSKCTSLCA5A
SCHEMBL1826720 0.86 MTNR1A (0.42) CA1CA2ACHEADRB2ADRB3
SCHEMBL1823455 0.85 BCHE (0.42) ADRB2ADRB3
SCHEMBL1823487 0.84 MTNR1A (0.43) CTSKCTSS

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 CA1 1603/4885CA2 730/4885ACHE 3905/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885ACHE 565/4885

“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.