SCHEMBL898868

SCHEMBL898868

O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.67
CA1 P00915 18/20 0.67
MMP1 P03956 4/20 0.67
MMP2 P08253 4/20 0.67
MMP9 P14780 4/20 0.67
MMP8 P22894 4/20 0.67
MMP13 P45452 4/20 0.67
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL20473121 1.00 CA2 (0.67) CA2CA1MMP1MMP2MMP9
SCHEMBL7797690 1.00 CA2 (0.67) CA2CA1MMP1MMP2MMP9
SCHEMBL20473120 0.97 CA2 (0.64) CA2CA1MMP1MMP2MMP9
SCHEMBL899196 0.97 CA2 (0.65) CA2CA1MMP1MMP2MMP9
SCHEMBL3435260 0.95 CA2 (0.62) CA2CA1MMP1MMP2MMP9
SCHEMBL20476642 0.95 CA2 (0.62) CA2CA1MMP1MMP2MMP9
SCHEMBL2511858 0.92 CA2 (0.60) CA2CA1MMP1MMP2MMP9
SCHEMBL2512376 0.92 CA2 (0.60) CA2CA1MMP1MMP2MMP9
SCHEMBL2516323 0.92 CA2 (0.60) CA2CA1MMP1MMP2MMP9
SCHEMBL3434755 0.92 CA2 (0.60) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563787-B2 Preparation of homoallyl alcohols in the presence of noncovalently supported ionic liquid phase catalysts under gas-phase reaction conditions BASF SE (DE) 2013-10-22 US disclosed
US-20120083630-A1 PREPARATION OF HOMOALLYL ALCOHOLS IN THE PRESENCE OF NONCOVALENTLY SUPPORTED IONIC LIQUID PHASE CATALYSTS UNDER GAS-PHASE REACTION CONDITIONS BASF SE (DE) 2012-04-05 US disclosed
US-7999449-B2 Electroconductive polymer electrode and actuator using the same EAMEX CORPORATION (JP) 2011-08-16 US disclosed
US-20070254216-A1 Electroconductive Polymer Electrode and Actuator Using the Same EAMEX CORPORATION (JP) 2007-11-01 US disclosed
US-20070119716-A1 Filmy object of conductive polymer EAMEX CORPORATION (JP) 2007-05-31 US disclosed
EP-1768247-A1 ELECTROCONDUCTIVE POLYMER ELECTRODE AND ACTUATOR USING THE SAME Eamex Corporation (JP) 2007-03-28 EP disclosed
EP-1712579-A1 FILMY OBJECT OF CONDUCTIVE POLYMER Eamex Corporation (JP) 2006-10-18 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-20120083630-A1 PREPARATION OF HOMOALLYL ALCOHOLS IN THE PRESENCE OF NONCOVALENTLY SUPPORTED IONIC LIQUID PHASE CATALYSTS UNDER GAS-PHASE REACTION CONDITIONS ADH1A, ADH1C, MGLL CA2 4090/4885CA1 3307/4885MMP1 3747/4885

“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.