SCHEMBL14562012

SCHEMBL14562012

COC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.65
EPHX2 P34913 5/20 0.59
PTGS1 P23219 3/20 0.59
ALOX5 P09917 2/20 0.58
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
AOC3 Q16853 1/20 0.51

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
SCHEMBL14562013 0.89 PTGS2 (0.70) PTGS2EPHX2PTGS1ALOX5CA1
SCHEMBL3864236 0.83 PTGS2 (0.90) PTGS2EPHX2PTGS1ALOX5CA1
SCHEMBL3866543 0.81 PTGS2 (0.70) PTGS2EPHX2PTGS1ALOX5CA1
SCHEMBL3867352 0.81 PTGS2 (0.64) PTGS2EPHX2PTGS1ALOX5CA9
SCHEMBL14562005 0.81 CA9 (0.72) PTGS2PTGS1ALOX5CA1CA2
SCHEMBL9941289 0.79 PTGS2 (1.00) PTGS2EPHX2PTGS1ALOX5CA1
SCHEMBL3866134 0.78 PTGS2 (0.64) PTGS2EPHX2PTGS1ALOX5CA1
SCHEMBL9199654 0.77 RPA1 (0.72) PTGS2ALOX5
SCHEMBL28782961 0.77 TSHR (0.48)
SCHEMBL9941646 0.77 ALOX5 (0.69) PTGS2EPHX2PTGS1ALOX5CA1

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-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 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-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 PTGS2 594/4885EPHX2 4219/4885PTGS1 558/4885

“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.