SCHEMBL2367491

SCHEMBL2367491

CNC(=O)c1cc(N)cc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ GAA P10253 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ FUT7 Q11130 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ATAD2 Q6PL18 1/20 0.46
▸ USP2 O75604 1/20 0.44

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
SCHEMBL27908270 0.90 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL111187 0.88 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL8403576 0.88 HDAC6 (0.50) CA2KDM4ELMNATDP1ALDH1A1
Hydrochloric Acid SCHEMBL111186 0.86 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL654773 0.84 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL19039709 0.84 HDAC6 (0.46) CA2KDM4ELMNATDP1ALDH1A1
SCHEMBL2059308 0.83 CA12 (0.70) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL11225161 0.82 HDAC6 (0.45) CA2LMNAALDH1A1HPGDPLK1
Hydrochloric Acid SCHEMBL9494959 0.82 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL3487770 0.81 ALDH1A1 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 — — US disclosed
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 — — US disclosed
EP-2368887-B1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-02-26 — — EP disclosed
EP-2368887-B1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-02-26 — — EP disclosed
CN-101918376-B 1,2, 3-triazole derivatives useful as inhibitors of stearoyl-coa desaturase SMITHKLINE BEECHAM CORP 2013-11-06 — — CN disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 — — US disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 — — US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 — — US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 — — US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 — — US disclosed
EP-2368887-A1 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors Glaxosmithkline LLC (US) 2011-09-28 — — EP disclosed
EP-2368887-A1 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors Glaxosmithkline LLC (US) 2011-09-28 — — EP disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 — — US disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 — — US disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 — — US disclosed
EP-2207770-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GlaxoSmithKline LLC (US) 2010-07-21 — — EP disclosed
WO-2009060053-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 — — WO disclosed
WO-2009060053-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 — — 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 (2 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-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FASN CA12 4860/4885CA1 4756/4885CA2 3176/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 CA12 4333/4885CA1 4435/4885CA2 2018/4885

“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.

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