SCHEMBL1828852

SCHEMBL1828852

CS(=O)(=O)Oc1cccc(C(C#N)OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.44
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB3 P13945 1/20 0.38
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1B1 P30837 1/20 0.36
ALDH1A3 P47895 1/20 0.36
NR4A2 P43354 1/20 0.35
CASR P41180 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 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
SCHEMBL1823249 0.86 SGMS2 (0.44) SGMS2KMT2ASMN1; SMN2FAAHADRB3
SCHEMBL1827514 0.86 CA1 (0.40) PPARGPPARAKMT2ASMN1; SMN2MAOB
SCHEMBL1827333 0.84 MEN1 (0.40) SGMS2KMT2AMAOBALDH1A1CTSL
SCHEMBL1826426 0.83 ADRB2 (0.41) PPARGPPARAKMT2ASMN1; SMN2FAAH
SCHEMBL11864549 0.83 MAOB (0.53) SGMS2MAOBCASRBCHE
SCHEMBL1828220 0.81 ALDH1A1 (0.35) KMT2AALDH1A1TDP1
SCHEMBL1826784 0.80 PPARG (0.45) PPARGPPARAKMT2ASMN1; SMN2FAAH
SCHEMBL1827104 0.79 KMT2A (0.45) PPARGPPARAKMT2ASMN1; SMN2FAAH
SCHEMBL1829082 0.78 ALPL (0.36) ALDH1A1TDP1
SCHEMBL1824323 0.77 ALDH1A1 (0.42) KMT2ASMN1; SMN2FAAHALDH1A1TDP1

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 SGMS2 3116/4885PPARG 3864/4885PPARA 3865/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SGMS2 2464/4885PPARG 2131/4885PPARA 2339/4885

“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.