SCHEMBL1828175

SCHEMBL1828175

COC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.44
MDM2 Q00987 2/20 0.41
P2RX7 Q99572 3/20 0.40
KMT2A Q03164 1/20 0.39
ENPP2 Q13822 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL1827981 0.94 CASP3 (0.44) CASP3MDM2P2RX7KMT2AENPP2
SCHEMBL3580924 0.93 CASP3 (0.50) CASP3MDM2KMT2ABACE1
SCHEMBL1823587 0.92 CASP3 (0.42) CASP3MDM2P2RX7KMT2AENPP2
SCHEMBL1828100 0.91 P2RX7 (0.45) CASP3MDM2P2RX7BACE1
SCHEMBL1824564 0.90 P2RX7 (0.48) CASP3P2RX7
SCHEMBL1825237 0.89 CASP3 (0.46) CASP3MDM2P2RX7KMT2AENPP2
SCHEMBL1823327 0.88 CASP3 (0.48) CASP3MDM2KMT2ABACE1
SCHEMBL1823115 0.87 CASP3 (0.44) CASP3MDM2P2RX7KMT2A
SCHEMBL1823032 0.86 CASP3 (0.44) CASP3MDM2P2RX7KMT2AENPP2
SCHEMBL1827314 0.86 CASP3 (0.51) CASP3MDM2KMT2ABACE1

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 1512/4885MDM2 2211/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885MDM2 2084/4885P2RX7 2747/4885

“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.