SCHEMBL3746346

SCHEMBL3746346

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
PPARG P37231 1/20 0.44
KMO O15229 1/20 0.44
HPGD P15428 1/20 0.43
ABCB11 O95342 3/20 0.43
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCR2 P41597 8/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3749261 0.89 SMN1; SMN2 (0.49) HPGDCYP1A2SMN1; SMN2PTGDR2TSHR
SCHEMBL22816229 0.83 PTGDR2 (0.49) CYP2C9PPARGHPGDSMN1; SMN2CCR2
SCHEMBL1923196 0.81 HPGD (0.48) CYP2C9PPARGHPGDABCB11SMN1; SMN2
SCHEMBL22816013 0.80 AKR1C3 (0.47) KMOHPGDPTGDR2POLBMAPT
SCHEMBL4330825 0.79 SMN1; SMN2 (0.50) HPGDCYP1A2SMN1; SMN2PTGDR2TSHR
SCHEMBL3655553 0.78 SCD (0.47) HPGDSMN1; SMN2POLBMAPT
SCHEMBL3744779 0.78 SCD (0.40) CYP2C9HPGDCYP1A2SMN1; SMN2POLB
SCHEMBL1923628 0.76 SMN1; SMN2 (0.52) HPGDCYP1A2SMN1; SMN2PTGDR2TSHR
SCHEMBL22815919 0.76 ALOX15 (0.43) CYP2C9PPARGHPGDCCR2POLB
SCHEMBL22815640 0.75 CCR2 (0.48) HPGDCCR2PTGDR2POLBMAPT

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 CYP2C9 309/4885PPARG 131/4885KMO 1039/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD CYP2C9 77/4885PPARG 388/4885KMO 2359/4885

“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.