SCHEMBL3158145

SCHEMBL3158145

CCc1cc(NC2CCOCC2)nc(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.59
PTGS1 P23219 4/20 0.51
CARM1 Q86X55 1/20 0.45
LRRK2 Q5S007 3/20 0.44
SYK P43405 1/20 0.41
VCP P55072 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
GHSR Q92847 1/20 0.39
MAPK1 P28482 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL3166624 0.86 PTGS2 (0.63) PTGS2PTGS1LRRK2SYKVCP
SCHEMBL14002222 0.78 PTGS2 (0.36) PTGS2CARM1
SCHEMBL3161223 0.75 PTGS2 (0.65) PTGS2PTGS1SYK
SCHEMBL5826798 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3171349 0.74 PTGS2 (0.49) PTGS2PTGS1LRRK2SYKVCP
SCHEMBL3118181 0.72 PTGS2 (0.65) PTGS2PTGS1SYK
SCHEMBL3161588 0.70 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL3161824 0.70 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL3168024 0.70 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL3153521 0.70 PTGS2 (0.69) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546107-B1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2010-03-31 EP disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20060040988-A1 Cox-2 Inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2006-02-23 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 (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-20060040988-A1 Cox-2 Inhibiting pyridine derivatives PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885CARM1 4609/4885

“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.