SCHEMBL3575087

SCHEMBL3575087

CC(=O)OC(CNC(=O)OC(C)(C)C)(OS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.40
CA12 O43570 6/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA2 P00918 7/20 0.39
ACACB O00763 1/20 0.39
KDM4A O75164 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA9 Q16790 5/20 0.37
MALT1 Q9UDY8 1/20 0.37
IDO1 P14902 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
SYK P43405 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL1824471 0.79 CYP2C19 (0.35) CYP2C19
SCHEMBL1822800 0.77 CYP2C19 (0.40) CYP2C19
SCHEMBL3571453 0.76 EGFR (0.46) CA1CA12CA2KDM4ACA9
SCHEMBL1827247 0.76 CA1 (0.40) CA1CA12CA7CA14CA2
SCHEMBL1823723 0.76 CA1 (0.41) CA1CA12CA7CA14CA2
Methoxymethane SCHEMBL1823065 0.74 CA1 (0.40) CA1CA12CA7CA14CA2
SCHEMBL1827248 0.74 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL1823082 0.73 CTSS (0.41) CA1CA12CA7CA14CA2
SCHEMBL630419 0.72 IDO1 (0.47) CA1CA12CA7CA14KDM4A
SCHEMBL1823722 0.72 EGFR (0.48) CA1CA12CA2KDM4ACYP2C19

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 1603/4885CA12 1498/4885CA7 370/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA12 670/4885CA7 78/4885

“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.