SCHEMBL14562017

SCHEMBL14562017

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CCKAR P32238 9/20 0.46
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MALT1 Q9UDY8 2/20 0.41
SMPD1 P17405 1/20 0.41
PPP1CA P62136 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14562016 0.90 PTGS2 (0.48) PTGS2CA9CA1CA2CCKAR
SCHEMBL14562019 0.90 PTGS2 (0.48) PTGS2CA9CA1CA2CCKAR
SCHEMBL14562021 0.85 CA9 (0.60) PTGS2CA9CA1CA2CCKAR
SCHEMBL860864 0.84 PTGS2 (0.46) PTGS2CA9CA1CA2CCKAR
SCHEMBL861051 0.84 RXRA (0.61) PTGS2CA9CA1CA2CCKAR
SCHEMBL14562025 0.83 PTGS2 (0.60) PTGS2CA9CA1CA2CCKAR
SCHEMBL860872 0.82 PTGS2 (0.53) PTGS2CA9MALT1SMPD1PPP1CA
SCHEMBL14562018 0.81 PTGS2 (0.49) PTGS2CA9CA1CA2CCKAR
SCHEMBL14562005 0.81 CA9 (0.72) PTGS2CA9CA1CA2ALOX5
SCHEMBL861691 0.80 SMN1; SMN2 (0.64) CA9SMPD1PPP1CASMN1; SMN2

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 1 patent. 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

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 594/4885CA9 1406/4885CA1 377/4885

“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.