Sugi Predict

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SCHEMBL3571663

SCHEMBL3571663

COCC(=O)NS(=O)(=O)c1cccc(-c2cccc(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C)n3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ LARS1 Q9P2J5 5/20 0.39
▸ PFKFB3 Q16875 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ LTB4R Q15722 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ SDHB P21912 1/20 0.35
▸ ACLY P53396 1/20 0.35

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
SCHEMBL3570404 0.90 LARS1 (0.41) BCL2L1MCL1LARS1PFKFB3PTGES2
SCHEMBL3567448 0.89 GSK3B (0.40) BCL2L1MCL1LARS1PFKFB3PTGES2
SCHEMBL3565927 0.87 CA2 (0.41) BCL2L1MCL1LARS1PFKFB3PTGES2
SCHEMBL3562257 0.86 LARS1 (0.45) BCL2L1MCL1LARS1PFKFB3PTGES2
SCHEMBL3573300 0.84 SYK (0.50) PFKFB3SMN1; SMN2PTGES2SCN9ASYK
SCHEMBL3569720 0.83 NR1H2 (0.48) PFKFB3PTGES2SYKHSD11B1
SCHEMBL3563476 0.83 PTGES2 (0.41) PFKFB3PTGES2SYKHSD11B1
SCHEMBL3565170 0.82 SYK (0.43) PFKFB3PTGES2SCN9ASYK
SCHEMBL3557260 0.82 IDH2 (0.41) PFKFB3PTGES2HSD11B1
SCHEMBL3566785 0.82 PTGES2 (0.44) PFKFB3SMN1; SMN2PTGES2SYKHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 — — EP disclosed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 — — EP disclosed
US-8183262-B2 Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine HOFFMANN-LA ROCHE INC. (US) 2012-05-22 — — US disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 — — US disclosed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 — — US disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 — — 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 (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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 BCL2L1 4568/4885MCL1 3162/4885LARS1 4547/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 BCL2L1 4214/4885MCL1 4340/4885LARS1 4085/4885

“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.