SCHEMBL1823201

SCHEMBL1823201

NC(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.38
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
IDO1 P14902 1/20 0.36
P2RX7 Q99572 6/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDC25B P30305 1/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34

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
SCHEMBL1829257 0.94 P2RX7 (0.43) P2RX7CA1CA2MAPT
SCHEMBL1826979 0.91 KMT2A (0.37) CASP3KMT2AHDAC1HDAC2IDO1
SCHEMBL1825038 0.90 CASP3 (0.39) CASP3KMT2AHDAC1HDAC2IDO1
SCHEMBL1828565 0.90 CASP3 (0.38) CASP3KMT2ACA1CA2FABP7
SCHEMBL1826972 0.89 KMT2A (0.38) CASP3KMT2AHDAC1HDAC2IDO1
SCHEMBL1824545 0.89 CASP3 (0.41) CASP3KMT2ACA1CA2FABP5
SCHEMBL1825694 0.88 CASP3 (0.38) CASP3KMT2AHDAC1HDAC2IDO1
SCHEMBL1824622 0.88 TDP1 (0.43) KMT2AP2RX7CA1CA2MAPT
SCHEMBL1824834 0.87 CASP3 (0.38) CASP3KMT2ACA1CA2FABP7
SCHEMBL3583108 0.86 CASP3 (0.38) CASP3KMT2AHDAC1HDAC2P2RX7

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 CASP3 1512/4885KMT2A 1068/4885HDAC1 1475/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885KMT2A 1084/4885HDAC1 769/4885

“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.