SCHEMBL1828038

SCHEMBL1828038

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
STS P08842 2/20 0.39
CXCR2 P25025 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CXCR1 P25024 1/20 0.38
CA2 P00918 5/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 3/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL1824696 0.85 ALDH1A1 (0.42) ENPP3ENPP1STSCXCR2ALDH1A1
SCHEMBL1823010 0.85 CA2 (0.39) ENPP3ENPP1STSCXCR2ALDH1A1
SCHEMBL1823931 0.85 ENPP3 (0.41) ENPP3ENPP1STSCXCR2ALDH1A1
SCHEMBL1826060 0.82 HTT (0.39) ENPP3ENPP1STSCXCR2ALDH1A1
SCHEMBL29716674 0.82 CES2 (0.47) CA2CA1CA9CA12RAB9A
SCHEMBL1824341 0.82 TDP1 (0.50) ENPP3ENPP1ALDH1A1CA2CA9
SCHEMBL1822898 0.81 L3MBTL1 (0.41) STSALDH1A1CA2CA1CA9
SCHEMBL1825546 0.81 CXCR2 (0.49) ENPP3ENPP1STSCXCR2ALDH1A1
SCHEMBL1823563 0.81 CXCR2 (0.42) ENPP3ENPP1STSCXCR2ALDH1A1
SCHEMBL1828235 0.81 KMT2A (0.53) ENPP3ENPP1ALDH1A1CA2CA12

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 3768/4885STS 625/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP3 1984/4885ENPP1 2849/4885STS 131/4885

“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.