SCHEMBL1824909

SCHEMBL1824909

COC(=O)C(C)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 3/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
G6PD P11413 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.44
ENPP2 Q13822 3/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
P2RY2 P41231 2/20 0.42
MAOB P27338 1/20 0.42
ENPP3 O14638 2/20 0.40
ENPP1 P22413 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL2839041 0.90 PTGS1 (0.56) GPR17PTGS1PTGS2MEN1KMT2A
SCHEMBL1820755 0.89 GPR17 (0.47) GPR17GAAMAPTG6PDNPSR1
SCHEMBL1824464 0.89 GPR17 (0.44) GPR17PTGS1GAAMAPTG6PD
SCHEMBL1824778 0.88 GPR17 (0.47) GPR17GAAMAPTG6PDNPSR1
SCHEMBL1823066 0.87 MEN1 (0.47) GPR17PTGS1GAAMAPTG6PD
SCHEMBL2838600 0.87 PTGS1 (0.56) GPR17PTGS1PTGS2GAAMAPT
SCHEMBL1826362 0.87 GPR17 (0.43) GPR17PTGS1GAAMAPTG6PD
SCHEMBL1827374 0.86 GPR17 (0.47) GPR17GAAMAPTG6PDNPSR1
SCHEMBL1823888 0.86 MEN1 (0.46) GPR17PTGS1GAAMAPTG6PD
SCHEMBL1823160 0.84 KMT2A (0.50) MAPTMEN1KMT2AALDH1A1ENPP2

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 GPR17 4205/4885PTGS1 3787/4885PTGS2 3426/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 GPR17 4459/4885PTGS1 3968/4885PTGS2 3168/4885

“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.