SCHEMBL1826700

SCHEMBL1826700

Cc1ccc(S(=O)(=O)Oc2cccc(C(C(=O)OC(C)(C)C)C(N)C(=O)OCC3c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
DHODH Q02127 1/20 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
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
GPR17 Q13304 1/20 0.34
BACE1 P56817 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
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3565286 0.94 CASP3 (0.36) BACE1EPHX2KMT2ACASP3
SCHEMBL1825401 0.92 P2RX7 (0.40) P2RX7DHODHMAPTALDH1A1LMNA
SCHEMBL1824941 0.91 MAPT (0.38) DHODHGAAMAPTG6PDNPSR1
SCHEMBL1823491 0.91 DHODH (0.37) DHODHGAAMAPTG6PDNPSR1
SCHEMBL1824563 0.89 GPR17 (0.36) DHODHGAAMAPTG6PDNPSR1
SCHEMBL1823288 0.89 P2RX7 (0.33) P2RX7DHODHGAAMAPTG6PD
SCHEMBL1824735 0.88 CASP3 (0.36) BACE1EPHX2KMT2ACASP3
SCHEMBL1823539 0.88 P2RX7 (0.39) P2RX7DHODHGAAMAPTG6PD
SCHEMBL1826736 0.86 MAPT (0.42) P2RX7GAAMAPTG6PDNPSR1
SCHEMBL1824362 0.85 CASP3 (0.37) GAAALDH1A1EPHX2KMT2ACASP3

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 3606/4885DHODH 2965/4885GAA 2170/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885DHODH 1171/4885GAA 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.