SCHEMBL1826643

SCHEMBL1826643

CCOC(=O)C(Cc1ccc(OS(C)(=O)=O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.48
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
BACE1 P56817 1/20 0.41
PTPN1 P18031 2/20 0.41
MDM2 Q00987 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL1826644 1.00 CASP3 (0.48) CASP3MDM4TP53BACE1PTPN1
SCHEMBL1826183 0.92 CASP3 (0.49) CASP3MDM4TP53PTPN1MDM2
SCHEMBL1826181 0.92 CASP3 (0.49) CASP3MDM4TP53PTPN1MDM2
SCHEMBL1823671 0.91 CASP3 (0.48) CASP3PTPN1
SCHEMBL1823670 0.91 CASP3 (0.48) CASP3PTPN1
SCHEMBL1827655 0.90 CASP3 (0.46) CASP3MDM4TP53PTPN1
SCHEMBL2863978 0.90 PTPN1 (0.46) CASP3MDM4TP53PTPN1MDM2
SCHEMBL2863983 0.90 PTPN1 (0.46) CASP3MDM4TP53PTPN1MDM2
SCHEMBL1828415 0.90 CASP3 (0.47) CASP3
SCHEMBL1828418 0.90 CASP3 (0.47) CASP3

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 1512/4885MDM4 3112/4885TP53 3942/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885MDM4 1641/4885TP53 4037/4885

“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.