SCHEMBL1825973

SCHEMBL1825973

COC(C)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ACHE P22303 2/20 0.38
AOC3 Q16853 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PTGS1 P23219 1/20 0.37
CYP19A1 P11511 1/20 0.36
BCHE P06276 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HPGD P15428 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
SCHEMBL2053885 0.87 CA1 (0.39) CA1CA2CA9ACHEALDH1A1
SCHEMBL2025338 0.87 CA1 (0.39) CA1CA2CA9ACHEALDH1A1
SCHEMBL2800774 0.87 CA1 (0.39) CA1CA2CA9ACHEALDH1A1
SCHEMBL1826052 0.83 CYP19A1 (0.36) CA1CA2CA9ACHEALDH1A1
SCHEMBL2026893 0.82 ACHE (0.57) ACHEBCHE
SCHEMBL2799811 0.82 ACHE (0.57) ACHEBCHE
SCHEMBL2026891 0.82 ACHE (0.57) ACHEBCHE
SCHEMBL1826835 0.81 ACHE (0.40) ACHEALDH1A1PTGS1BCHE
SCHEMBL1825480 0.81 ALDH1A1 (0.48) ALDH1A1PTGS1
SCHEMBL2799779 0.81 MEN1 (0.42) CA1CA2CA9ACHEALDH1A1

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 CA1 1603/4885CA2 730/4885CA9 776/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885CA9 308/4885

“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.