SCHEMBL3570404

SCHEMBL3570404

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 5/20 0.41
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
PTGS2 P35354 1/20 0.38
NR4A2 P43354 1/20 0.38
PPARG P37231 2/20 0.37
PFKFB3 Q16875 1/20 0.37
HSD11B1 P28845 1/20 0.36
ACLY P53396 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
FLT3 P36888 1/20 0.36
NR1H2 P55055 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL3567448 0.93 GSK3B (0.40) LARS1BCL2L1MCL1PTGES2PPARG
SCHEMBL3571663 0.90 BCL2L1 (0.39) LARS1BCL2L1MCL1PTGES2PFKFB3
SCHEMBL3565927 0.90 CA2 (0.41) LARS1BCL2L1MCL1PTGES2PFKFB3
SCHEMBL3562257 0.88 LARS1 (0.45) LARS1BCL2L1MCL1PTGES2PFKFB3
SCHEMBL3563476 0.87 PTGES2 (0.41) PTGES2PFKFB3HSD11B1NR1H2S1PR1
SCHEMBL3569720 0.86 NR1H2 (0.48) PTGES2PFKFB3HSD11B1CA1CA2
SCHEMBL3565170 0.84 SYK (0.43) PTGES2PFKFB3FLT3S1PR1S1PR3
SCHEMBL3557260 0.84 IDH2 (0.41) PTGES2PFKFB3HSD11B1NR1H2
SCHEMBL3566785 0.84 PTGES2 (0.44) PTGES2PFKFB3HSD11B1CA1CA2
SCHEMBL3566492 0.84 KIF18A (0.44) LARS1PTGES2PFKFB3HSD11B1CA1

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 24 patents — showing the first 20. 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 claimed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
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 claimed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 US claimed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP claimed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO claimed
US-20190343839-A1 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF INTELLECTUAL DISABILITIES HOFFMANN-LA ROCHE INC. (US) 2019-11-14 US disclosed
US-20170173022-A1 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF AUTISTIC DISORDERS HOFFMANN-LA ROCHE INC. (US) 2017-06-22 US disclosed
US-20170173022-A1 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF AUTISTIC DISORDERS HOFFMANN-LA ROCHE INC. (US) 2017-06-22 US disclosed
US-20170035767-A1 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF INTELLECTUAL DISABILITIES HOFFMANN-LA ROCHE INC. (US) 2017-02-09 US disclosed
US-20170035767-A1 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF INTELLECTUAL DISABILITIES HOFFMANN-LA ROCHE INC. (US) 2017-02-09 US disclosed
WO-2015162076-A2 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF INTELLECTUAL DISABILITIES F. HOFFMANN-LA ROCHE AG (CH) 2015-10-29 WO 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
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 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 (5 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-20170035767-A1 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF INTELLECTUAL DISABILITIES GRM2, GRM3, GRIK2 LARS1 3901/4885BCL2L1 4307/4885MCL1 4258/4885
US-20190343839-A1 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF INTELLECTUAL DISABILITIES GRM2, GRM3, GRM5 LARS1 4113/4885BCL2L1 4468/4885MCL1 4423/4885
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 LARS1 4547/4885BCL2L1 4568/4885MCL1 3162/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 LARS1 4085/4885BCL2L1 4214/4885MCL1 4340/4885
US-20170173022-A1 MGLU2/3 ANTAGONISTS FOR THE TREATMENT OF AUTISTIC DISORDERS GRM2, GRM3, GRM5 LARS1 4273/4885BCL2L1 4682/4885MCL1 4833/4885

“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.