SCHEMBL17129797

SCHEMBL17129797

Cc1ccc(OS(=O)(=O)F)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.43
ELANE P08246 1/20 0.41
STS P08842 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL31204456 0.82 CA1 (0.52) CA1CA2CA9KDM4EELANE
SCHEMBL32665346 0.82 CA1 (0.47) CA1CA2CA9ELANEACHE
SCHEMBL6937925 0.82 CA1 (0.55) CA1CA2CA9KDM4ESTS
SCHEMBL11160716 0.80 CA1 (0.48) CA1CA2CA9KDM4ESTS
SCHEMBL4131406 0.80 CA1 (0.48) CA1CA2CA9KDM4ESTS
SCHEMBL19348578 0.80 CA2 (0.75) CA1CA2CA9KDM4ESTS
SCHEMBL2989290 0.79 CA1 (0.44) CA1CA2CA9KDM4ESTS
SCHEMBL31195498 0.79 CA1 (0.44) CA1CA2CA9KDM4ESTS
SCHEMBL11655554 0.78 CA1 (0.47) CA1CA2CA9KDM4ESTS
SCHEMBL32665524 0.78 CA1 (0.47) CA1CA2CA9ELANEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177265-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW AGROSCIENCES LLC (US) 2019-06-13 US disclosed
EP-3122707-B1 METHOD FOR COUPLING A FIRST AROMATIC COMPOUND TO A SECOND AROMATIC COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-25 EP disclosed
US-20170240499-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW GLOBAL TECHNOLOGIES LLC 2017-08-24 US disclosed
US-20170240499-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW GLOBAL TECHNOLOGIES LLC 2017-08-24 US disclosed
US-20170210695-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW AGROSCIENCES LLC 2017-07-27 US disclosed
US-20170210695-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW AGROSCIENCES LLC 2017-07-27 US disclosed
US-20170174582-A1 METHOD FOR COUPLING A FIRST AROMATIC COMPOUND TO A SECOND AROMATIC COMPOUND DOW AGROSCIENCES LLC 2017-06-22 US disclosed
US-20170174582-A1 METHOD FOR COUPLING A FIRST AROMATIC COMPOUND TO A SECOND AROMATIC COMPOUND DOW AGROSCIENCES LLC 2017-06-22 US disclosed
WO-2016057770-A1 METHOD FOR COUPLING A FLUOROSULFONATE COMPOUND WITH AN AMINE COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2016-04-14 WO disclosed
WO-2016057771-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2016-04-14 WO disclosed
WO-2015148931-A1 METHOD FOR COUPLING A FIRST AROMATIC COMPOUND TO A SECOND AROMATIC COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2015-10-01 WO 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 (4 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-20170174582-A1 METHOD FOR COUPLING A FIRST AROMATIC COMPOUND TO A SECOND AROMATIC COMPOUND PAH, TYR, AHR CA1 4564/4885CA2 3857/4885CA9 2039/4885
US-20190177265-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND PAICS, NUDT21, TIAL1 CA1 2107/4885CA2 3019/4885CA9 910/4885
US-20170210695-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND PAICS, NUDT21, TIAL1 CA1 2107/4885CA2 3019/4885CA9 910/4885
US-20170240499-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND SQLE, FDPS, PAICS CA1 2285/4885CA2 2991/4885CA9 709/4885

“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.