SCHEMBL5772476

SCHEMBL5772476

CSc1ccc(-c2cc(Cl)cnc2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
CNR1 P21554 11/20 0.46
PLAU P00749 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
PTGER1 P34995 1/20 0.40
SQOR Q9Y6N5 1/20 0.39
GSTP1 P09211 1/20 0.39
C5AR1 P21730 1/20 0.39
TLR8 Q9NR97 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL5904151 0.84 NPSR1 (0.52) SLC6A4CNR1FFAR4GSTP1C5AR1
SCHEMBL6069616 0.81 PTGS2 (0.55) PTGER1
SCHEMBL6069619 0.74 PTGER1 (0.48) SLC6A4PTGER1
SCHEMBL5109364 0.74 SLC6A4 (0.50) SLC6A4CNR1PLAUPTGER1
SCHEMBL5775335 0.73 GSK3B (0.38)
SCHEMBL28631630 0.71 MAP4K4 (0.47)
SCHEMBL5773780 0.71 ALDH1A1 (0.37)
SCHEMBL2287859 0.71 SLC6A4 (0.56) SLC6A4CNR1PLAU
SCHEMBL4154373 0.71 SLC6A4 (0.56) SLC6A4CNR1PLAU
SCHEMBL29837500 0.71 SLC6A4 (0.56) SLC6A4CNR1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229338-A1 2,3'-bipyridines derivatives as selective cox-2 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-10-12 US disclosed
EP-1592666-A1 2,3 -BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-11-09 EP disclosed
WO-2004072037-A1 2,3'-BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-26 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-20060229338-A1 2,3'-bipyridines derivatives as selective cox-2 inhibitors PTGS2, PTGES2, PTGER2 SLC6A4 2410/4885CNR1 503/4885PLAU 2279/4885

“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.