SCHEMBL1824075

SCHEMBL1824075

CC(C)(C)OC(=O)CC(N)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
KMT2A Q03164 2/20 0.35
CASP3 P42574 3/20 0.35
FABP5 Q01469 3/20 0.33
FABP7 O15540 2/20 0.33
EPHX2 P34913 1/20 0.32
BACE1 P56817 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1824604 0.90 KMT2A (0.39) CA1CA2KMT2ACASP3FABP5
SCHEMBL1826076 0.90 CASP3 (0.35) CA1CA2KMT2ACASP3FABP5
SCHEMBL1823608 0.90 CA1 (0.36) CA1CA2KMT2ACASP3FABP5
SCHEMBL3577977 0.88 CYP1A2 (0.37) CA1CA2KMT2ACASP3FABP5
SCHEMBL1827573 0.88 P2RX7 (0.38) CA1CA2KMT2A
SCHEMBL1822099 0.87 PTPN1 (0.36) CA1CA2KMT2ACASP3FABP5
SCHEMBL3568477 0.81 CA1 (0.37) CA1CA2KMT2ACA12CA9
SCHEMBL1827566 0.81 CA12 (0.39) CA1CA2CA12CA9
SCHEMBL1827178 0.80 CASP3 (0.38) CA1CA2KMT2ACASP3FABP5
SCHEMBL1826915 0.80 HSD11B1 (0.38) CA1CA2KMT2ACASP3FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP 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 730/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885KMT2A 1084/4885

“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.