SCHEMBL3756191

SCHEMBL3756191

C[C@H](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.41
CA1 P00915 10/20 0.41
MMP1 P03956 9/20 0.41
MMP2 P08253 9/20 0.41
MMP9 P14780 9/20 0.41
MMP8 P22894 9/20 0.41
MMP13 P45452 9/20 0.41
F2 P00734 4/20 0.37
PRSS1 P07477 4/20 0.37
PRSS2 P07478 4/20 0.37
PRSS3 P35030 4/20 0.37
THRB P10828 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
SCHEMBL3756194 1.00 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL575405 0.83 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL576166 0.81 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL979982 0.81 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL575657 0.81 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL1768211 0.81 CXCR2 (0.35)
SCHEMBL1924669 0.81 CXCR2 (0.35)
SCHEMBL1768213 0.81 CXCR2 (0.35)
SCHEMBL3770785 0.80 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL1923926 0.80 CA2 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212065-B2 Method for the production of optically active alpha alkyl carbonyl compounds ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2012-07-03 US disclosed
US-20100305352-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALPHA ALKYL CARBONYL COMPOUNDS ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2010-12-02 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 (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-20100305352-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALPHA ALKYL CARBONYL COMPOUNDS ZNF787, ZKSCAN2, ERG28 CA2 325/4885CA1 717/4885MMP1 3524/4885

“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.