SCHEMBL1824903

SCHEMBL1824903

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CASP3 P42574 4/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
FABP5 Q01469 3/20 0.34
FABP7 O15540 2/20 0.33
EPHX2 P34913 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PIN1 Q13526 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
SCHEMBL1825033 0.90 KMT2A (0.41) KMT2ACASP3CA1CA2FABP5
SCHEMBL1827853 0.90 CASP3 (0.37) KMT2ACASP3CA1CA2FABP5
SCHEMBL1825603 0.90 KMT2A (0.38) KMT2ACASP3CA1CA2FABP5
SCHEMBL1821559 0.88 KMT2A (0.37) KMT2ACASP3CA1CA2FABP5
SCHEMBL1829174 0.88 ENPP2 (0.36) KMT2ACASP3CA1CA2
SCHEMBL1826147 0.87 KMT2A (0.39) KMT2ACASP3CA1CA2FABP5
SCHEMBL1826829 0.87 CASP3 (0.38) KMT2ACASP3CA1CA2FABP5
SCHEMBL1824816 0.86 CASP3 (0.37) KMT2ACASP3CA1CA2FABP5
SCHEMBL1828576 0.84 CASP3 (0.38) KMT2ACASP3CA1CA2FABP5
SCHEMBL1826543 0.81 CA1 (0.42) CA1CA2TSHRCA12CA9

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 KMT2A 1068/4885CASP3 1512/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885CASP3 854/4885CA1 1728/4885

“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.