SCHEMBL1822255

SCHEMBL1822255

Cc1ccc(S(=O)(=O)Oc2ccc(COC(=O)CC#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
P2RX7 Q99572 4/20 0.44
ENPP3 O14638 3/20 0.42
ENPP2 Q13822 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1827283 0.88 ALDH1A1 (0.54) ENPP1ALDH1A1LMNAP2RX7ENPP3
SCHEMBL1825648 0.86 LMNA (0.45) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL1827982 0.85 ENPP1 (0.53) ENPP1ALDH1A1GAAPPARGLMNA
SCHEMBL1826067 0.82 PPARG (0.46) ALDH1A1GAAPPARG
SCHEMBL1828424 0.81 ALDH1A1 (0.51) ENPP1ALDH1A1GAAPPARGLMNA
SCHEMBL1826864 0.81 ENPP1 (0.47) ENPP1ALDH1A1GAAPPARGLMNA
SCHEMBL2236246 0.79 PKM (0.50) ENPP1ALDH1A1PPARGLMNAKMT2A
SCHEMBL1822498 0.79 ALDH1A1 (0.46) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL6846853 0.77 MAPT (0.39) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL1822097 0.77 ENPP1 (0.50) ENPP1ALDH1A1PPARGKMT2AMEN1

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 7 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
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 ENPP1 3768/4885ALDH1A1 1099/4885GAA 2170/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP1 2849/4885ALDH1A1 1440/4885GAA 98/4885

“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.