SCHEMBL1825101

SCHEMBL1825101

CCOC(=O)C(CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.42
KMT2A Q03164 2/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
BMP1 P13497 1/20 0.40
EPHX2 P34913 2/20 0.39
P2RX7 Q99572 1/20 0.37

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
SCHEMBL1826465 0.95 BMP1 (0.42) KMT2ABMP1P2RX7
SCHEMBL1826294 0.93 CASP3 (0.43) CASP3KMT2APPARGPPARABMP1
SCHEMBL1826970 0.91 CASP3 (0.42) CASP3KMT2AP2RX7
SCHEMBL1827852 0.90 CASP3 (0.41) CASP3KMT2APPARGPPARABMP1
SCHEMBL1825602 0.90 CASP3 (0.42) CASP3KMT2APPARGPPARABMP1
SCHEMBL1825419 0.90 P2RX7 (0.41) CASP3KMT2ABMP1P2RX7
SCHEMBL3569739 0.89 P2RX7 (0.48) BMP1P2RX7
SCHEMBL1825600 0.89 BMP1 (0.44) CASP3KMT2ABMP1P2RX7
SCHEMBL1821789 0.87 CASP3 (0.42) CASP3KMT2APPARGPPARABMP1
SCHEMBL1829172 0.86 BMP1 (0.41) KMT2ABMP1P2RX7

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 1068/4885PPARG 3864/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885KMT2A 1084/4885PPARG 2131/4885

“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.