SCHEMBL1824632

SCHEMBL1824632

CCC(C)(O[Si](C)(C)C)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
ENPP1 P22413 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.42
ENPP3 O14638 2/20 0.42
ENPP2 Q13822 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1825820 0.88 TDP1 (0.48) ENPP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL1827263 0.86 ENPP1 (0.46) PPARGENPP1ALDH1A1KMT2AMEN1
SCHEMBL1822096 0.82 KMT2A (0.49) PPARGENPP1ALDH1A1KMT2AMEN1
SCHEMBL1825231 0.82 CA2 (0.39) ALDH1A1KMT2AMEN1MAPTCA12
SCHEMBL10180569 0.82 ENPP1 (0.48) PPARGENPP1ALDH1A1KMT2AMEN1
SCHEMBL1824943 0.80 ENPP1 (0.49) PPARGENPP1ALDH1A1KMT2AMEN1
SCHEMBL1825435 0.79 P2RX7 (0.45) PPARGENPP1ALDH1A1KMT2AMEN1
SCHEMBL3841628 0.78 KMT2A (0.51) PPARGENPP1ALDH1A1KMT2AMEN1
SCHEMBL2990067 0.78 MEN1 (0.62) PPARGENPP1ALDH1A1KMT2AMEN1
Hydrogen Sulfide SCHEMBL15618664 0.77 MEN1 (0.61) PPARGENPP1ALDH1A1KMT2AMEN1

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 PPARG 3864/4885ENPP1 3768/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PPARG 2131/4885ENPP1 2849/4885ALDH1A1 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.