SCHEMBL1826784

SCHEMBL1826784

CC(=O)C(OCc1ccccc1)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
MAOB P27338 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB3 P13945 1/20 0.42
ALOX5 P09917 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PTGS1 P23219 1/20 0.38
NR4A2 P43354 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
SCHEMBL1827290 0.89 ADRB3 (0.42) PPARGPPARAKMT2ASMN1; SMN2FAAH
SCHEMBL1827104 0.89 KMT2A (0.45) PPARGPPARAKMT2ASMN1; SMN2FAAH
SCHEMBL1827837 0.86 PPARG (0.44) PPARGPPARASMN1; SMN2MAOBALOX5
SCHEMBL1823596 0.85 KMT2A (0.42) PPARGKMT2ASMN1; SMN2ADRB3
SCHEMBL1826426 0.83 ADRB2 (0.41) PPARGPPARAKMT2ASMN1; SMN2FAAH
SCHEMBL1828852 0.80 SGMS2 (0.44) PPARGPPARAKMT2ASMN1; SMN2FAAH
SCHEMBL2838421 0.80 ALOX5 (0.48) PPARGPPARAKMT2ASMN1; SMN2FAAH
SCHEMBL1822898 0.80 L3MBTL1 (0.41) FAAHMTNR1AMTNR1BPTGS1
SCHEMBL1823272 0.79 FAAH (0.44) KMT2ASMN1; SMN2FAAHADRB3MTNR1A
SCHEMBL1826367 0.79 ALDH1A1 (0.42) SMN1; SMN2FAAHPTGS1

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 PPARG 3864/4885PPARA 3865/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PPARG 2131/4885PPARA 2339/4885KMT2A 1084/4885

“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.