SCHEMBL1825943

SCHEMBL1825943

Cc1ccc(S(=O)(=O)Oc2cccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)OC(C)C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.43
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
MDM2 Q00987 1/20 0.40
PTPN1 P18031 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL1826959 0.94 CASP3 (0.45) PLAUPLATPTPN1CASP3
SCHEMBL1825865 0.93 PLAU (0.45) P2RX7PLAUPLATMDM2CASP3
SCHEMBL1825148 0.92 P2RX7 (0.44) P2RX7MDM2CASP3
SCHEMBL1824061 0.91 P2RX7 (0.50) P2RX7MDM2CASP3
SCHEMBL1824064 0.91 P2RX7 (0.50) P2RX7MDM2CASP3
SCHEMBL1822561 0.90 P2RX7 (0.50) P2RX7MDM2PTPN1CASP3
SCHEMBL1826812 0.90 P2RX7 (0.49) P2RX7
SCHEMBL1824119 0.89 CASP3 (0.42) P2RX7MDM2PTPN1CASP3
SCHEMBL3568338 0.88 CASP3 (0.45) PLAUPLATPTPN1CASP3
SCHEMBL1826722 0.87 CASP3 (0.45) P2RX7PTPN1CASP3

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 P2RX7 3606/4885PLAU 4857/4885PLAT 4864/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885PLAU 4788/4885PLAT 4392/4885

“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.