SCHEMBL1824907

SCHEMBL1824907

Cc1ccc(S(=O)(=O)Oc2cccc(C(CC(=O)OC(C)C)C(N)C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 3/20 0.37
P2RX7 Q99572 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ENPP2 Q13822 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
P2RY2 P41231 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
MAOB P27338 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
SCHEMBL1822886 0.93 ADRB3 (0.35) GPR17GAAKMT2AALDH1A1PLAU
SCHEMBL1824919 0.93 GPR17 (0.38) GPR17P2RX7GAAMAPTG6PD
SCHEMBL1827214 0.91 GPR17 (0.38) GPR17P2RX7GAAMAPTG6PD
SCHEMBL1826337 0.91 GAA (0.37) GPR17P2RX7GAAMAPTG6PD
SCHEMBL3571344 0.89 ENPP1 (0.39) P2RX7MAPTMEN1KMT2AALDH1A1
SCHEMBL1826786 0.87 P2RX7 (0.45) P2RX7MAPTKMT2ALMNA
SCHEMBL1823820 0.87 ALDH1A1 (0.34) KMT2AALDH1A1PLAUPLATF2
SCHEMBL1827492 0.86 GPR17 (0.40) GPR17P2RX7GAAMAPTG6PD
SCHEMBL1823394 0.86 LMNA (0.40) GPR17P2RX7GAAMAPTG6PD
SCHEMBL1824410 0.85 ABCB1 (0.37) GPR17P2RX7MAPTKMT2AALDH1A1

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 4205/4885P2RX7 3606/4885GAA 2170/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 GPR17 4459/4885P2RX7 2747/4885GAA 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.