SCHEMBL1823155

SCHEMBL1823155

COC(CNC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
P2RX7 Q99572 2/20 0.42
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 1/20 0.41
ENPP1 P22413 4/20 0.40
ENPP2 Q13822 4/20 0.40
ENPP3 O14638 3/20 0.40
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1825630 0.90 EGFR (0.43) EGFRP2RX7CA12CA1CA2
SCHEMBL1826493 0.90 EGFR (0.44) EGFRP2RX7CA12CA1CA2
SCHEMBL1823878 0.88 GPR17 (0.40) EGFRP2RX7CA12CA1CA2
SCHEMBL1826408 0.87 EGFR (0.46) EGFRP2RX7CA12CA1CA2
SCHEMBL1823252 0.86 EGFR (0.44) EGFRP2RX7CA12CA1CA2
SCHEMBL3576866 0.85 P2RX7 (0.51) EGFRP2RX7
SCHEMBL1824448 0.85 EGFR (0.45) EGFRP2RX7CA12CA1CA2
SCHEMBL1826054 0.85 EGFR (0.43) EGFRP2RX7CA12CA1CA2
SCHEMBL1826344 0.84 CA12 (0.41) EGFRCA12CA1CA2CA9
SCHEMBL1825960 0.83 EGFR (0.44) EGFRP2RX7CA12CA1CA2

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 EGFR 1025/4885P2RX7 3606/4885CA12 1498/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 EGFR 1471/4885P2RX7 2747/4885CA12 670/4885

“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.