SCHEMBL1826977

SCHEMBL1826977

O=C(NCC(C(=O)OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.41
EPHX2 P34913 1/20 0.41
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
BMP1 P13497 1/20 0.36
PTPN1 P18031 2/20 0.36
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL1823537 0.94 P2RX7 (0.39) CASP3EPHX2KMT2ABMP1
SCHEMBL1824360 0.91 CASP3 (0.41) CASP3EPHX2KMT2ABMP1
SCHEMBL3576934 0.91 CASP3 (0.42) CASP3EPHX2KMT2ABMP1PTPN1
SCHEMBL1823200 0.91 CASP3 (0.42) CASP3EPHX2KMT2AHDAC1HDAC2
SCHEMBL1825577 0.91 CASP3 (0.42) CASP3EPHX2KMT2ABMP1
SCHEMBL1823736 0.88 CA1 (0.42) FAAHCA1
SCHEMBL1824572 0.88 CASP3 (0.41) CASP3EPHX2KMT2ABMP1
SCHEMBL1826185 0.88 CASP3 (0.41) CASP3EPHX2KMT2AHDAC1HDAC2
SCHEMBL1825845 0.87 CASP3 (0.40) CASP3EPHX2KMT2ABMP1
SCHEMBL1823490 0.86 BMP1 (0.38) CASP3EPHX2KMT2ABMP1

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 1512/4885EPHX2 793/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885EPHX2 671/4885KMT2A 1084/4885

“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.