SCHEMBL1823657

SCHEMBL1823657

COC(=O)C(OC(C)=O)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CXCR1 P25024 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
STS P08842 2/20 0.36
MAPK1 P28482 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KLK7 P49862 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6621061 0.89 ENPP3 (0.41) CXCR2ALDH1A1ENPP3ENPP1CXCR1
SCHEMBL1824696 0.86 ALDH1A1 (0.42) CXCR2ALDH1A1CYP3A4ENPP3ENPP1
SCHEMBL1823931 0.86 ENPP3 (0.41) CXCR2ALDH1A1ENPP3ENPP1CXCR1
SCHEMBL1827502 0.84 TDP1 (0.46) ALDH1A1CYP3A4ENPP3ENPP1CA2
SCHEMBL1824132 0.83 ALDH1A1 (0.41) CXCR2ALDH1A1CYP3A4ENPP3ENPP1
SCHEMBL1825862 0.83 ALDH1A1 (0.39) ALDH1A1CYP3A4PDGFRBPDGFRA
SCHEMBL1825373 0.83 KMT2A (0.49) ALDH1A1ENPP3ENPP1MAPK1HTT
SCHEMBL1823603 0.81 ENPP3 (0.38) CXCR2ALDH1A1ENPP3ENPP1CXCR1
SCHEMBL2834104 0.80 CXCR2 (0.50) CXCR2ENPP3ENPP1CXCR1CA1
SCHEMBL1822530 0.80 ENPP3 (0.41) CXCR2ALDH1A1ENPP3ENPP1CXCR1

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 CXCR2 1017/4885ALDH1A1 1099/4885CYP3A4 45/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CXCR2 4382/4885ALDH1A1 1440/4885CYP3A4 15/4885

“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.