SCHEMBL1821706

SCHEMBL1821706

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CASP3 P42574 4/20 0.33
ENPP2 Q13822 1/20 0.33
P2RY2 P41231 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
MAOB P27338 1/20 0.32
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1826908 0.94 CASP3 (0.37) CASP3EPHX2KMT2ACYP1A2CYP3A4
SCHEMBL1825016 0.92 DHODH (0.35) GPR17DHODHALDH1A1CASP3GAA
SCHEMBL1822423 0.92 CASP3 (0.35) GPR17DHODHALDH1A1CASP3ENPP2
SCHEMBL3570980 0.91 ENPP2 (0.37) DHODHALDH1A1CASP3ENPP2MAPT
SCHEMBL1823288 0.90 P2RX7 (0.33) GPR17DHODHALDH1A1CASP3ENPP2
SCHEMBL1824997 0.89 LMNA (0.38) DHODHCASP3MAPTKMT2ALMNA
SCHEMBL1824563 0.89 GPR17 (0.36) GPR17DHODHALDH1A1CASP3ENPP2
SCHEMBL1826270 0.88 CASP3 (0.37) ALDH1A1CASP3EPHX2KMT2ACYP1A2
SCHEMBL1824970 0.87 CASP3 (0.37) ALDH1A1CASP3EPHX2MEN1KMT2A
SCHEMBL1823323 0.86 CASP3 (0.40) CASP3EPHX2KMT2A

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 4205/4885DHODH 2965/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 GPR17 4459/4885DHODH 1171/4885ALDH1A1 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.