SCHEMBL1823692

SCHEMBL1823692

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 1/20 0.43
PPARG P37231 4/20 0.42
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.40
ALDH1A2 O94788 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH1B1 P30837 1/20 0.40
ALDH1A3 P47895 1/20 0.40
PPARA Q07869 2/20 0.40
ALOX5 P09917 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 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
SCHEMBL1823181 0.86 AOC3 (0.41) CA1CA2ACHEPPARGNPC1
SCHEMBL1828163 0.86 TDP1 (0.49) CA1CA2ACHENPC1AR
SCHEMBL1826426 0.85 ADRB2 (0.41) ACHEPPARGSMN1; SMN2ALDH1A2ALDH1A1
SCHEMBL1827837 0.82 PPARG (0.44) CA1CA2ACHEPPARGNPC1
SCHEMBL1826689 0.82 PPARG (0.42) CA1CA2ACHEPPARGNPC1
SCHEMBL1828203 0.82 AOC3 (0.40) CA1CA2ACHEPPARGNPC1
SCHEMBL1827514 0.82 CA1 (0.40) CA1CA2ACHEPPARGNPC1
SCHEMBL1828145 0.81 MEN1 (0.46) PPARGARALDH1A1KMT2A
SCHEMBL1831820 0.81 ALOX5 (0.44) CA1CA2ACHEPPARGAOC3
SCHEMBL1824721 0.81 CA1 (0.50) CA1CA2ACHEPPARGNPC1

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.