SCHEMBL3574284

SCHEMBL3574284

CC(C)OC(=O)CC(CNC(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
CACNA1H O95180 1/20 0.41
P2RX7 Q99572 12/20 0.41
CASP1 P29466 1/20 0.39
ADAMTS4 O75173 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1824829 0.95 P2RX7 (0.47) CA1CA2ACHEP2RX7MAPT
SCHEMBL1824863 0.91 CA1 (0.45) CA1CA2ACHEP2RX7CASP1
SCHEMBL1825143 0.91 CA1 (0.42) CA1CA2ACHEP2RX7CASP1
SCHEMBL1824704 0.90 CA1 (0.47) CA1CA2ACHECACNA1HMAPT
SCHEMBL1823846 0.90 CACNA1H (0.45) CA1CA2ACHECACNA1HP2RX7
SCHEMBL1824695 0.90 P2RX7 (0.43) CA1CA2ACHEP2RX7CASP1
SCHEMBL1825852 0.88 P2RX7 (0.47) CA1CA2ACHEP2RX7CASP1
SCHEMBL1826447 0.87 P2RX7 (0.50) CA1CA2ACHEP2RX7MAPT
SCHEMBL1823446 0.86 MTNR1A (0.43) ADAMTS4MAPT
SCHEMBL1826179 0.86 P2RX7 (0.49) CA1CA2ACHEP2RX7MAPT

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.