SCHEMBL1827608

SCHEMBL1827608

CC(C)C(OOS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
PARL Q9H300 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
HTR6 P50406 1/20 0.34
PSIP1 O75475 1/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
PAX8 Q06710 1/20 0.34
MPI P34949 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL1825485 0.97 MAPT (0.36) TSHRTDP1PARLADAMTS4ALDH1A1
SCHEMBL1822692 0.89 TSHR (0.41) TSHRADAMTS4ALDH1A1HPGDRAB9A
SCHEMBL1825460 0.82 CCR5 (0.38) TDP1PARLALDH1A1MAPTLMNA
SCHEMBL30930716 0.80 HTR6 (0.41) TSHRTDP1PARLALDH1A1MAPT
Methoxymethane SCHEMBL1825482 0.79 CCR5 (0.36) TDP1PARLALDH1A1MAPTLMNA
SCHEMBL1826870 0.78 ALDH1A1 (0.37) TDP1PARLALDH1A1MAPTGAA
SCHEMBL1157986 0.77 THRB (0.44) TSHRALDH1A1LMNAKDM4E
Methoxymethane SCHEMBL1824463 0.76 HTR6 (0.36) TSHRTDP1PARLALDH1A1MAPT
SCHEMBL16046055 0.75 THRB (0.39) TDP1PARLALDH1A1MAPTLMNA
SCHEMBL11822071 0.72 ADRA2A (0.40) TDP1PARLALDH1A1LMNAKDM4E

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 TSHR 1200/4885TDP1 4543/4885PARL 1885/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885TDP1 4702/4885PARL 2165/4885

“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.