SCHEMBL14422876

SCHEMBL14422876

Cc1ccc(-c2ncc(Cl)cc2-c2ccc(C(N)=O)cc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.66
▸ PTGS1 P23219 7/20 0.66
▸ ABCC4 O15439 1/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ MAPK14 Q16539 1/20 0.64
▸ MAP4K4 O95819 3/20 0.51
▸ MKNK1 Q9BUB5 3/20 0.48
▸ MKNK2 Q9HBH9 2/20 0.48
▸ MALT1 Q9UDY8 1/20 0.44
▸ GABRA1 P14867 1/20 0.43
▸ CHEK2 O96017 1/20 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
SCHEMBL14422878 0.88 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5551731 0.82 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL17878838 0.82 PTGS2 (0.71) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14422879 0.81 PTGS2 (0.57) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL19798166 0.81 MKNK1 (0.49) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL13114284 0.80 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14422875 0.80 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL12534461 0.80 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL28319282 0.79 PTGS2 (0.95) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL322010 0.78 PTGS2 (0.88) PTGS2PTGS1ABCC4ABCB11PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185116-A1 Bicyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2007-08-09 — — US disclosed
US-20070185116-A1 Bicyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2007-08-09 — — 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-20070185116-A1 Bicyclic compounds KCNN3, KCNJ1, KCNJ2 PTGS2 962/4885PTGS1 1202/4885ABCC4 519/4885

“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.

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