SCHEMBL1826445

SCHEMBL1826445

CCC(C)(OOS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.40
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.37
HSD11B1 P28845 5/20 0.36
NR3C2 P08235 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.35
HSD17B3 P37058 1/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
RORC P51449 1/20 0.34
NR1I2 O75469 1/20 0.33

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
Methoxymethane SCHEMBL1826559 0.97 PSIP1 (0.38) PSIP1CYP2C19MAPK1HSD11B1NR3C2
SCHEMBL1827684 0.90 TSHR (0.40) PSIP1CYP2C19RORC
SCHEMBL6900972 0.83 PSIP1 (0.42) PSIP1CYP2C19MAPK1HSD11B1NR3C2
SCHEMBL11208770 0.78 MAPK1 (0.52) CYP2C19MAPK1NR3C2ALDH1A1
SCHEMBL1823723 0.76 CA1 (0.41) CYP2C19NPC1RAB9A
Methoxymethane SCHEMBL1823065 0.74 CA1 (0.40) CYP2C19
SCHEMBL1826558 0.73 TDP1 (0.50) MAPK1HSD11B1ALDH1A1HTTHSD17B3
SCHEMBL14389655 0.72 MAPK1 (0.68) CYP2C19MAPK1NR3C2ALDH1A1
SCHEMBL27338474 0.72 MAPK1 (0.45) CYP2C19MAPK1NR3C2ALDH1A1
SCHEMBL27338478 0.72 MAPK1 (0.45) CYP2C19MAPK1NR3C2ALDH1A1

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 PSIP1 2595/4885CYP2C19 174/4885MAPK1 953/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PSIP1 1823/4885CYP2C19 23/4885MAPK1 1335/4885

“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.