SCHEMBL1822798

SCHEMBL1822798

CCC(=O)OCc1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
F2 P00734 2/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
FFAR1 O14842 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
PKM P14618 1/20 0.40
MMP1 P03956 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL1825099 0.90 LMNA (0.48) ALDH1A1LMNAGAAMAPT
SCHEMBL1827217 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL1823221 0.84 ALDH1A1 (0.46) FAAHALDH1A1SMN1; SMN2F2LMNA
SCHEMBL1826837 0.84 FAAH (0.44) FAAHALDH1A1MAPK1L3MBTL1FFAR1
SCHEMBL29729966 0.81 MMP1 (0.56) ALDH1A1LMNAMAPK1L3MBTL1TDP1
SCHEMBL12945174 0.78 MMP1 (0.57) ALDH1A1SMN1; SMN2FFAR1NPC1RAB9A
SCHEMBL4599667 0.77 FAAH (0.49) FAAHALDH1A1SMN1; SMN2F2LMNA
SCHEMBL5936393 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1L3MBTL1TDP1
SCHEMBL2838939 0.77 ALOX5 (0.47) FAAHALDH1A1SMN1; SMN2F2SPHK2
SCHEMBL1825648 0.76 LMNA (0.45) ALDH1A1LMNAL3MBTL1GAAMAPT

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 FAAH 2017/4885ALDH1A1 1099/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 FAAH 1771/4885ALDH1A1 1440/4885SMN1; SMN2 3216/4885

“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.