SCHEMBL1825876

SCHEMBL1825876

CC(C)OC(=O)CC(N)C(C(=O)OCc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
ACHE P22303 3/20 0.41
TSHR P16473 1/20 0.40
LTA4H P09960 3/20 0.39
LAP3 P28838 1/20 0.39
PPARG P37231 3/20 0.38
SLC15A1 P46059 1/20 0.38
PPARA Q07869 3/20 0.38
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL1823131 0.92 SLC15A1 (0.43) CA1CA2ACHELTA4HLAP3
SCHEMBL1823003 0.90 CA1 (0.38) CA1CA2ACHETSHRLTA4H
SCHEMBL1823017 0.90 CA1 (0.45) CA1CA2ACHELTA4HLAP3
SCHEMBL1824732 0.89 PPARG (0.43) CA1CA2ACHELTA4HLAP3
SCHEMBL3573363 0.88 CA1 (0.40) CA1CA2ACHETSHRLTA4H
SCHEMBL1824338 0.87 CA2 (0.39) CA1CA2ACHELTA4HLAP3
SCHEMBL1824923 0.87 P2RX7 (0.43) PPARGMAPT
SCHEMBL1824705 0.86 CA1 (0.41) CA1CA2ACHETSHRLTA4H
SCHEMBL1827047 0.85 LTA4H (0.51) CA1CA2ACHELTA4HLAP3
SCHEMBL1826214 0.84 CA1 (0.43) CA1CA2ACHETSHRLTA4H

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.