SCHEMBL1828037

SCHEMBL1828037

COC(=O)C(c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(N)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
P2RX7 Q99572 12/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 2/20 0.42
KMT2A Q03164 1/20 0.42
ADAMTS4 O75173 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3571064 0.94 P2RX7 (0.50) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1824622 0.93 TDP1 (0.43) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1825828 0.90 P2RX7 (0.42) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1823701 0.89 FAAH (0.43) CA1CA2ACHEP2RX7SMN1; SMN2
SCHEMBL1825196 0.89 CA1 (0.40) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1826007 0.89 CA1 (0.47) CA1CA2ACHELTA4HKMT2A
SCHEMBL3570720 0.89 P2RX7 (0.47) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1824021 0.88 P2RX7 (0.50) P2RX7ALDH1A1KMT2A
SCHEMBL1823129 0.86 P2RX7 (0.47) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1827081 0.85 P2RX7 (0.48) P2RX7ALDH1A1

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 730/4885ACHE 3905/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885ACHE 565/4885

“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.