SCHEMBL1380784

SCHEMBL1380784

COc1ccc2c(c1)CCN(C(=O)c1cc(S(C)(=O)=O)ccc1OC(C)C)C2

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.69
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
SLC6A5 Q9Y345 3/20 0.54
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3872554 0.92 SLC6A9 (0.80) SLC6A9SLC6A5
SCHEMBL3875032 0.90 SLC6A9 (0.58) SLC6A9CA1CA2CA7CA9
SCHEMBL3883650 0.89 SLC6A9 (0.59) SLC6A9SLC6A5KCNH2
SCHEMBL1382479 0.88 SLC6A9 (0.69) SLC6A9SLC6A5KCNH2
SCHEMBL3880642 0.88 SLC6A9 (0.68) SLC6A9SLC6A5KCNH2
SCHEMBL3882875 0.87 SLC6A9 (0.57) SLC6A9SLC6A5KCNH2
SCHEMBL13618781 0.87 SLC6A9 (0.58) SLC6A9CA1CA2CA7CA9
SCHEMBL3871545 0.87 SLC6A9 (0.71) SLC6A9SLC6A5
SCHEMBL1381566 0.86 SLC6A9 (0.74) SLC6A9SLC6A5KCNH2
SCHEMBL1382518 0.86 SLC6A9 (0.64) SLC6A9SLC6A5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829900-B2 2011-12-07 JP claimed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP claimed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US claimed
EP-1844045-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO claimed
US-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 US claimed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1844045-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO disclosed
US-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 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-20060167023-A1 Substituted phenyl methanones SLC6A7, SLC1A1, SLC26A3 SLC6A9 12/4885CA1 2299/4885CA2 2621/4885

“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.