SCHEMBL4504428

SCHEMBL4504428

COc1ccc(-c2cc(Cl)nc(S(C)(=O)=O)n2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
HPGD P15428 4/20 0.67
HSD17B10 Q99714 4/20 0.67
TP53 P04637 3/20 0.67
NPSR1 Q6W5P4 3/20 0.67
HTT P42858 3/20 0.67
LMNA P02545 1/20 0.67
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
ATM Q13315 1/20 0.46
SDHB P21912 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43

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
SCHEMBL13912201 0.80 TP53 (1.00) KMT2ASMN1; SMN2HPGDHSD17B10TP53
SCHEMBL4492748 0.80 SDHB (0.52) KMT2ASMN1; SMN2HPGDHSD17B10TP53
SCHEMBL19806003 0.79 SDHB (0.75) SDHB
SCHEMBL2175274 0.79 MEN1 (0.72) KMT2ASMN1; SMN2HPGDHSD17B10TP53
SCHEMBL4502579 0.78 KDM4E (0.68) KMT2ASMN1; SMN2HPGDHSD17B10TP53
SCHEMBL10686590 0.78 MEN1 (0.57) KMT2ASMN1; SMN2HPGDHSD17B10TP53
SCHEMBL6749872 0.77 HSP90AA1 (0.61) KMT2ASMN1; SMN2HPGDHSD17B10HTT
SCHEMBL4489879 0.74 MEN1 (0.54) KMT2ASMN1; SMN2HPGDHSD17B10TP53
SCHEMBL14392727 0.74 SDHB (0.39) KMT2ASMN1; SMN2HPGDHSD17B10TP53
SCHEMBL4500775 0.74 PTGDR (0.66) KMT2ASMN1; SMN2HPGDHSD17B10TP53

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-1891019-B1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2012-07-25 EP disclosed
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 EP disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 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-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 KMT2A 4126/4885SMN1; SMN2 2111/4885HPGD 488/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 KMT2A 4126/4885SMN1; SMN2 2111/4885HPGD 488/4885

“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.