SCHEMBL1823671

SCHEMBL1823671

CS(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.48
PTPN1 P18031 5/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
P2RX7 Q99572 1/20 0.44
IDO1 P14902 1/20 0.43
TNF P01375 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL1823670 1.00 CASP3 (0.48) CASP3PTPN1HDAC1HDAC2P2RX7
SCHEMBL1825521 0.91 CASP3 (0.47) CASP3PTPN1HDAC1HDAC2IDO1
SCHEMBL1826643 0.91 CASP3 (0.48) CASP3PTPN1
SCHEMBL1826644 0.91 CASP3 (0.48) CASP3PTPN1
SCHEMBL1826183 0.91 CASP3 (0.49) CASP3PTPN1
SCHEMBL1826181 0.91 CASP3 (0.49) CASP3PTPN1
SCHEMBL1826917 0.90 P2RX7 (0.51) CASP3HDAC1HDAC2P2RX7
SCHEMBL2858955 0.90 PTPN1 (0.51) CASP3PTPN1HDAC1HDAC2P2RX7
SCHEMBL1826918 0.90 P2RX7 (0.51) CASP3HDAC1HDAC2P2RX7
SCHEMBL2858954 0.90 PTPN1 (0.51) CASP3PTPN1HDAC1HDAC2P2RX7

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 1512/4885PTPN1 963/4885HDAC1 1475/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885PTPN1 4064/4885HDAC1 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.