SCHEMBL1823249

SCHEMBL1823249

N#CC(OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
FAAH O00519 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
CTSS P25774 3/20 0.38
F2 P00734 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 1/20 0.38
ALPL P05186 1/20 0.37
CTSK P43235 2/20 0.37
MAOB P27338 1/20 0.36
ADRB3 P13945 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL1827333 0.92 MEN1 (0.40) SGMS2ALDH1A1CTSLCTSBCTSS
SCHEMBL1828852 0.86 SGMS2 (0.44) SGMS2SMN1; SMN2ALDH1A1FAAHCTSL
SCHEMBL1825822 0.86 TDP1 (0.47) SMN1; SMN2ALDH1A1TDP1ALPLMAOB
SCHEMBL1828949 0.84 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1KMT2AALPL
SCHEMBL3579723 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1FAAHSPHK2SPHK1
SCHEMBL1825494 0.81 ALPL (0.42) SMN1; SMN2ALDH1A1TDP1KMT2AALPL
SCHEMBL1823219 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1FAAHTDP1KMT2A
SCHEMBL11864549 0.79 MAOB (0.53) SGMS2MAOB
SCHEMBL1826444 0.79 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAHPGDHTT
SCHEMBL1827290 0.79 ADRB3 (0.42) SMN1; SMN2ALDH1A1FAAHSPHK2SPHK1

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 3116/4885SMN1; SMN2 2274/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SGMS2 2464/4885SMN1; SMN2 3216/4885ALDH1A1 1440/4885

“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.