SCHEMBL1823931

SCHEMBL1823931

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
CXCR2 P25025 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
STS P08842 1/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.37
CXCR1 P25024 1/20 0.37
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
LMNA P02545 1/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35

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 0.90 ENPP3 (0.41) ENPP3ENPP1CXCR2CA12CA1
SCHEMBL1823657 0.86 CXCR2 (0.41) ENPP3ENPP1CXCR2CA12CA1
SCHEMBL1828038 0.85 ENPP3 (0.39) ENPP3ENPP1CXCR2CA12CA1
SCHEMBL1823603 0.84 ENPP3 (0.38) ENPP3ENPP1CXCR2CA12CA1
SCHEMBL1823010 0.83 CA2 (0.39) ENPP3ENPP1CXCR2CA12CA1
SCHEMBL1822530 0.83 ENPP3 (0.41) ENPP3ENPP1CXCR2CA12CA1
SCHEMBL2834104 0.83 CXCR2 (0.50) ENPP3ENPP1CXCR2CA12CA1
SCHEMBL17309222 0.82 RAB9A (0.49) CA1CA2RAB9AKMT2AMEN1
SCHEMBL1533409 0.82 RAB9A (0.49) CA1CA2RAB9AKMT2AMEN1
SCHEMBL17309221 0.82 RAB9A (0.49) CA1CA2RAB9AKMT2AMEN1

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 ENPP3 3529/4885ENPP1 3768/4885CXCR2 1017/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP3 1984/4885ENPP1 2849/4885CXCR2 4382/4885

“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.