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SCHEMBL3749261

SCHEMBL3749261

COCc1c(C(=O)OC)nnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL4330825 0.89 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2TSHRMAPTPOLB
SCHEMBL3746346 0.89 CYP2C9 (0.44) SMN1; SMN2CYP1A2TSHRMAPTPOLB
SCHEMBL1923628 0.84 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2TSHRMAPTPOLB
SCHEMBL3655553 0.79 SCD (0.47) SMN1; SMN2MAPTPOLBGAAALDH1A1
SCHEMBL3744779 0.79 SCD (0.40) SMN1; SMN2CYP1A2MAPTPOLBGAA
SCHEMBL23484488 0.75 PTGDR2 (0.46) SMN1; SMN2TSHRMAPTPOLBALOX15
SCHEMBL22815603 0.74 ALOX15 (0.49) SMN1; SMN2CYP1A2MAPTPOLBALOX15
SCHEMBL22816229 0.73 PTGDR2 (0.49) SMN1; SMN2MAPTPOLBALOX15L3MBTL1
SCHEMBL1923550 0.73 KDM4E (0.49) MAPTPOLBPTGDR2ALDH1A1KDM4E
SCHEMBL3763320 0.73 GRM5 (0.44) SMN1; SMN2CYP1A2TSHRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 — — EP disclosed
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 — — EP disclosed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 — — US disclosed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 — — US disclosed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 — — US disclosed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 — — US disclosed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 — — US disclosed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 — — US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 — — US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 — — US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 — — US disclosed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD 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-20100297097-A1 COMPOUNDS APP, BACE1, SCD SMN1; SMN2 3780/4885CYP1A2 336/4885TSHR 2737/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD SMN1; SMN2 1592/4885CYP1A2 70/4885TSHR 4038/4885

“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.