SCHEMBL5790841

SCHEMBL5790841

CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(C(N)=O)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.67
PTGS1 P23219 10/20 0.58
SDHB P21912 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
STAT3 P40763 1/20 0.53
STAT1 P42224 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TLR9 Q9NR96 1/20 0.53

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
SCHEMBL5785867 0.81 PTGS2 (1.00) PTGS2PTGS1SDHBKDM4EMITF
SCHEMBL4721292 0.79 SDHB (0.81) PTGS2PTGS1SDHBKDM4EMITF
SCHEMBL5787913 0.73 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL28305973 0.73 KDM4E (0.67) PTGS2PTGS1SDHBKDM4EMITF
SCHEMBL5790839 0.73 PTGS2 (0.67) PTGS2PTGS1SDHB
SCHEMBL28307447 0.72 SDHB (0.64) PTGS2SDHBKDM4EMITFALDH1A1
SCHEMBL6408442 0.72 PTGS1 (0.67) PTGS2PTGS1KDM4EMITFLMNA
SCHEMBL19805686 0.71 SDHB (0.73) PTGS2SDHBKDM4EMITFALDH1A1
SCHEMBL19805671 0.71 SDHB (0.75) PTGS2SDHBKDM4EMITFALDH1A1
SCHEMBL3560523 0.71 ADORA3 (0.50) SDHBKDM4EALDH1A1LMNASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254119-B1 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-6780870-B2 TREATMENT OF THE PAIN (BOTH CHRONIC AND ACUTE), FEVER AND INFLAMMATION OF A VARIETY OF CONDITIONS AND DISEASES MEDIATED BY COX-2 SMITHKLINE BEECHAM CORPORATION 2004-08-24 US disclosed
US-20030109538-A1 Pyrmidine derivatives as selective inhibitors of cox-2 SMITHKLINE BEECHAM CORPORATION 2003-06-12 US disclosed
EP-1254119-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2002-11-06 EP disclosed
WO-2001058881-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2001-08-16 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-20030109538-A1 Pyrmidine derivatives as selective inhibitors of cox-2 PTGS1, PTGS2, PTGES2 PTGS2 2/4885PTGS1 1/4885SDHB 203/4885

“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.