SCHEMBL1496643

SCHEMBL1496643

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Yb]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.52
CA1 P00915 13/20 0.52
MMP1 P03956 6/20 0.52
MMP2 P08253 6/20 0.52
MMP9 P14780 6/20 0.52
MMP8 P22894 6/20 0.52
MMP13 P45452 6/20 0.52
F2 P00734 4/20 0.46
PRSS1 P07477 4/20 0.46
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 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
SCHEMBL1496682 0.97 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL23932 0.97 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL30354089 0.97 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL332726 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL24140 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
Fluoride SCHEMBL1995965 0.94 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL6915199 0.94 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL6916713 0.94 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL3137344 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL8437168 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906667-B2 Method for producing optically active alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-15 US disclosed
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-1982973-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-10-22 EP 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 (1 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-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 CA2 357/4885CA1 429/4885MMP1 4600/4885

“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.