SCHEMBL3568477

SCHEMBL3568477

CC(C)(C)OC(=O)CC(N)(C(=O)OC(C)(C)C)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA9 Q16790 7/20 0.37
ALDH1A1 P00352 2/20 0.36
MMP2 P08253 2/20 0.34
MMP7 P09237 2/20 0.34
MMP9 P14780 2/20 0.34
MMP14 P50281 2/20 0.34
MMP1 P03956 1/20 0.34
IDH1 O75874 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CA12 O43570 5/20 0.33
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
ENPP3 O14638 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
SCHEMBL1823948 0.93 CA2 (0.35) CA1CA2CA9ALDH1A1MMP2
SCHEMBL1825334 0.90 STS (0.38) CA1CA2CA9ALDH1A1MMP2
SCHEMBL1827275 0.89 ALDH1A1 (0.35) CA1CA2CA9ALDH1A1MMP2
SCHEMBL1827566 0.85 CA12 (0.39) CA1CA2CA9CA12
SCHEMBL1826015 0.85 CA12 (0.39) CA1CA2CA9ALDH1A1CA12
SCHEMBL1826492 0.84 TDP1 (0.41) ALDH1A1ENPP3ENPP1MEN1MAPT
SCHEMBL1827658 0.83 PPARG (0.42) CA2ALDH1A1CA12ENPP3ENPP1
SCHEMBL1824075 0.81 CA1 (0.36) CA1CA2CA9CA12KMT2A
SCHEMBL27734340 0.79 MEN1 (0.51) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL7048725 0.79 CXCR2 (0.38) CA1CA2CA9PSEN1PSEN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 CA1 1603/4885CA2 730/4885CA9 776/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885CA9 308/4885

“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.