SCHEMBL5378591

SCHEMBL5378591

CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)nc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.74
PTGS1 P23219 3/20 0.74
TP53 P04637 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
ADORA2A P29274 1/20 0.53
GPR39 O43194 1/20 0.51
PTK2 Q05397 1/20 0.47

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
SCHEMBL5785800 0.85 PTGS2 (1.00) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL5379548 0.85 PTGS2 (0.54) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL14488606 0.84 TP53 (0.60) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL14499102 0.79 TP53 (0.65) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL5787875 0.77 PTGS2 (0.78) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL5375362 0.76 SDHB (0.60) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL24335036 0.76 PTGS2 (0.83) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL5787610 0.76 PTGS2 (1.00) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL5788345 0.76 PTGS2 (0.81) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL5373896 0.75 PTGS2 (0.75) PTGS2PTGS1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235560-B2 Pyrimidine derivative as selective COX-2 inhibitors GLAXO GROUP LIMITED (GB) 2007-06-26 US claimed
EP-1546128-B1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2006-05-03 EP claimed
US-20060040967-A1 Pyrimidine derivative as selelctive cox-2 inhibitors GLAXO GROUP LIMITED (GB) 2006-02-23 US claimed
EP-1546128-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-29 EP claimed
WO-2004018452-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-04 WO claimed
US-7235560-B2 Pyrimidine derivative as selective COX-2 inhibitors GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
EP-1546128-B1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2006-05-03 EP disclosed
US-20060040967-A1 Pyrimidine derivative as selelctive cox-2 inhibitors GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1546128-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-29 EP disclosed
WO-2004018452-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-04 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 (1 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-20060040967-A1 Pyrimidine derivative as selelctive cox-2 inhibitors PTGES2, PTGS2, DPYD PTGS2 2/4885PTGS1 5/4885TP53 3849/4885

“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.