SCHEMBL1826735

SCHEMBL1826735

Cc1ccc(S(=O)(=O)Oc2cccc(C(CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
GPR17 Q13304 3/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
MMP13 P45452 1/20 0.37
ENPP2 Q13822 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ACACB O00763 1/20 0.36
P2RY2 P41231 2/20 0.36

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
SCHEMBL1823496 0.95 P2RX7 (0.40) P2RX7GPR17GAAMAPTG6PD
SCHEMBL1823113 0.94 P2RX7 (0.39) P2RX7GPR17GAAMAPTG6PD
SCHEMBL1827491 0.93 GPR17 (0.40) P2RX7GPR17GAAMAPTG6PD
SCHEMBL1823707 0.92 SYK (0.41) P2RX7ALDH1A1EGFRCA12CA1
SCHEMBL1825064 0.90 P2RX7 (0.51) P2RX7MAPTCA1LMNASYK
SCHEMBL1826157 0.90 P2RX7 (0.49) P2RX7MAPTLMNASYK
SCHEMBL1825307 0.88 GPR17 (0.41) P2RX7GPR17GAAMAPTG6PD
SCHEMBL1824448 0.88 EGFR (0.45) P2RX7MAPTALDH1A1EGFRMEN1
SCHEMBL1826055 0.87 SYK (0.41) P2RX7GAAEGFRCA12CA1
SCHEMBL3572152 0.87 SYK (0.40) P2RX7EGFRCA1CA2MMP13

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